SCHEMBL2652907

SCHEMBL2652907

CCOC(=O)c1sccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
PKM P14618 4/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
GAA P10253 2/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5187882 0.81 KMT2A (0.51) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL3053745 0.79 PKM (0.67) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL8627506 0.78 TDP1 (0.50) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL16429551 0.78 ALDH1A1 (0.48) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL27581830 0.78 KMT2A (0.53) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL13469238 0.77 PKM (0.50) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL9710339 0.77 CA12 (0.52) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL5078857 0.77 TSHR (0.55) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL20598702 0.76 ALDH1A1 (0.49) ALDH1A1PKMKMT2AMAPTHPGD
SCHEMBL14043705 0.76 NPC1 (0.52) ALDH1A1PKMKMT2AMAPTHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
US-5696162-A ANTIINFLAMMATORY AGENTS, SKIN DISORDERS, AUTOIMMUNE DISORDERS ALLERGAN (US) 1997-12-09 US disclosed
US-5677320-A SKIN DISORDERS, ANTIGROWTH AGENT, IMMUNOLOGY DISORDERS ALLERGAN (US) 1997-10-14 US disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed
US-5602135-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ARTHEROSCLEROSIS,IMMUNOLOGY, WOUND HEALING AGENT, VISION DEFECTS, SUNSCREEN AGENTS ALLERGAN 1997-02-11 US disclosed
EP-0724579-A1 PHENYL OR HETEROARYL AND TETRAHYDRONAPHTHYL SUBSTITUTED DIENE COMPOUNDS HAVING RETINOID LIKE BIOLOGICAL ACTIVITY Allergan (US) 1996-08-07 EP disclosed
US-5475022-A Treating acne ALLERGAN, INC. (US) 1995-12-12 US disclosed
WO-1995011242-A1 PHENYL OR HETEROARYL AND TETRAHYDRONAPHTHYL SUBSTITUTED DIENE COMPOUNDS HAVING RETINOID LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1995-04-27 WO disclosed