SCHEMBL6139561

SCHEMBL6139561

Nc1ccc(-c2ccccc2O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 4/20 0.44
HSD17B1 P14061 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ALOX15 P16050 3/20 0.39

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
SCHEMBL6067814 0.78 CYP3A4 (0.42) HSD17B2HSD17B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5704971 0.78 CASP1 (0.42) SMN1; SMN2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL6068082 0.78 ESR2 (0.50) HSD17B2HSD17B1ALDH1A1HPGDMAPT
SCHEMBL22834010 0.75 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL23795185 0.75 HSD17B1 (0.44) HSD17B2HSD17B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL12182362 0.75 HSD17B2 (0.44) HSD17B2HSD17B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5646084 0.73 CA2 (0.55) HSD17B2HSD17B1CA12CA2CA4
SCHEMBL5712508 0.72 ALOX15 (0.41) HSD17B2HSD17B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9912150 0.71 CYP2E1 (0.50) ALDH1A1HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL22834155 0.71 APP (0.75) HSD17B2HSD17B1ALDH1A1HSD17B10ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495015-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS Wella Aktiengesellschaft (DE) 2005-01-12 EP claimed
WO-2003087084-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO claimed
CN-106167502-A Azetepa compound and preparation method thereof and the application as insecticide thereof 广西师范学院 2016-11-30 CN disclosed
CN-106117268-A α aminophosphonate compound with 2 amino 1,3,4 thiadiazoles structures and preparation method thereof and purposes 广西师范学院 2016-11-16 CN disclosed
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed