SCHEMBL8875720

SCHEMBL8875720

CCOC(=O)COc1cccc(Br)c1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
USP2 O75604 1/20 0.48
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PTPN1 P18031 1/20 0.44
S1PR4 O95977 1/20 0.44
ITGA4 P13612 1/20 0.44
HPGD P15428 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8822656 0.85 PKM (0.51) GLAL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL11820397 0.82 USP2 (0.58) ABCB1USP2GLAL3MBTL1CASP3
SCHEMBL30676599 0.78 TSHR (0.45) L3MBTL1ALDH1A1MAPTLMNARAB9A
SCHEMBL29122895 0.78 TSHR (0.45) L3MBTL1ALDH1A1MAPTLMNARAB9A
SCHEMBL31562326 0.78 USP2 (0.51) ABCB1USP2CASP3CASP7CASP9
SCHEMBL17681784 0.77 CA12 (0.47) ABCB1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL19474972 0.77 L3MBTL1 (0.46) USP2L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL2010417 0.77 USP2 (0.67) ABCB1USP2GLAL3MBTL1CASP3
SCHEMBL24186538 0.76 USP2 (0.46) ABCB1USP2CASP3CASP7CASP9
SCHEMBL30286832 0.76 USP2 (0.46) ABCB1USP2CASP3CASP7CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637624-A ANTISEROTONIN AGENT ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
US-5594034-A ADMINISTERING DIRECT ACTING 5-HYDROXYTRYPTAMINE AGONIST TO MAMMAL ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5457120-A Antisecretory and antiserotonine agents ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
EP-0385658-B1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1994-12-28 EP disclosed
US-5340838-A Administering serotonin agonist to mammals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 EP disclosed