SCHEMBL4437258

SCHEMBL4437258

C1=Cc2c([nH]c3ccccc23)CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GPR3 P46089 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 5/20 0.38
CHRNA7 P36544 1/20 0.38
NR2E1 Q9Y466 2/20 0.38
HTR5A P47898 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
AHR P35869 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
DRD2 P14416 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11603577 0.71 HSD17B10 (0.40) ALDH1A1HSD17B10GPR3HTR2AHTR2C
SCHEMBL29424329 0.69 KDM4E (0.42) ALDH1A1HSD17B10GPR3HTR2AHTR2C
SCHEMBL465036 0.69 KDM4E (0.42) ALDH1A1HSD17B10GPR3HTR2AHTR2C
SCHEMBL454277 0.69 HTR2A (0.43) ALDH1A1HSD17B10GPR3HTR2AHTR2C
SCHEMBL27741230 0.68 KDM4E (0.41) ALDH1A1HSD17B10GPR3HTR2AHTR2C
SCHEMBL21668867 0.68 KDM4E (0.41) ALDH1A1HSD17B10GPR3HTR2AHTR2C
SCHEMBL7078918 0.68 KDM4E (0.44) ALDH1A1HSD17B10GPR3HTR2AHTR2C
SCHEMBL8147538 0.67 ALDH1A1 (0.43) ALDH1A1HSD17B10GPR3KDM4ENR2E1
SCHEMBL27607257 0.67 ALDH1A1 (0.39) ALDH1A1HSD17B10GPR3HTR2AHTR2C
SCHEMBL4507432 0.66 KIF11 (0.48) ALDH1A1HSD17B10GPR3KDM4EHTR5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005365-B1 PYRANO AND THIOPYRANO (3,4-B) INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1982-01-06 EP claimed
WO-2024248763-A1 NOVEL 2-(L,8-DIETHYL-1,3,4,9-TETRAHYDROPYRANO[3,4-B]INDOL-1-YL)-N-(2-(PIPERIDIN-1 YL)ETHYL)ACETAMIDE ETODOLAC DERIVATIVE AS A EUKARYOTIC ELONGATION FACTOR 2 KINASE (EEF2K) INHIBITOR FOR TARGETED CANCER THERAPY COMERT ONDER FERAH (TR) 2024-12-05 WO disclosed
EP-2864334-B1 THIOSEMICARBAZIDES AND TRIAZOLES DERIVED FROM ETODOLAC AND THEIR SYNTHESES KUCUKGUZEL S GUNIZ (TR) 2017-01-04 EP disclosed
EP-2864333-A1 ETODOLAC DERIVATIVES AS HCV NS5B POLYMERASE INHIBITORS Kucukguzel, S. Guniz (TR) 2015-04-29 EP disclosed
WO-2014003693-A1 ETODOLAC DERIVATIVES AS HCV NS5B POLYMERASE INHIBITORS KUCUKGUZEL S GUNIZ (TR) 2014-01-03 WO disclosed
EP-2121691-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-11-25 EP disclosed
WO-2008101660-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 WO disclosed
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
EP-1156050-B1 Substituted tricyclics useful in sPLA2 induced diseases LILLY CO ELI (US) 2004-02-18 EP disclosed
US-6610728-B2 SPLA2 inhibitor, secretory phospholiase A2 inhibitors 1H-indole-3-glyoxylamide compound or a pharmaceutically acceptable salt, solvate, or a prodrug ELI LILLY AND COMPANY 2003-08-26 US disclosed
US-4056538-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST, MCKENNA & HARRISON LIMITED (CA) 1977-11-01 US disclosed
US-4056538-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST, MCKENNA & HARRISON LIMITED (CA) 1977-11-01 US disclosed
US-4041169-A TREATING AND PREVENTING ULCERS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-08-09 US disclosed
US-4012417-A ACID CATALYSTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US disclosed
US-4012417-A ACID CATALYSTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US disclosed
US-4003913-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-01-18 US disclosed
US-3974179-A ANTIINFLAMMATORY, ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-10 US disclosed
US-3939178-A ANTIINFLAMMATORY, ANALGESIC, BACTERICIDE, FUNGICIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-17 US disclosed
US-3880853-A Pyrano-and thiopyranoindole AYERST MCKENNA & HARRISON 1975-04-29 US disclosed
US-3852285-A PYRANO- AND THIOPYRANOINDOLE DERIVATIVES AYERST MCKENNA & HARRISON 1974-12-03 US disclosed