SCHEMBL8580932

SCHEMBL8580932

CCCCc1cc(CCC)ccc1Oc1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SKP2 Q13309 1/20 0.40
ACACB O00763 1/20 0.39
APAF1 O14727 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8581645 0.93 CYP19A1 (0.45) CYP19A1ALDH1A1RAB9AACACB
SCHEMBL8579609 0.91 CYP19A1 (0.40) CYP19A1GLASMN1; SMN2
SCHEMBL8157835 0.91 CYP19A1 (0.40) CYP19A1GLASMN1; SMN2ALDH1A1MAPT
SCHEMBL2946734 0.89 SKP2 (0.43) CYP19A1GLASMN1; SMN2SKP2
SCHEMBL2945587 0.88 CYP19A1 (0.44) CYP19A1SMN1; SMN2ALDH1A1RAB9AACACB
SCHEMBL8578479 0.88 ALDH1A1 (0.45) CYP19A1ALDH1A1RAB9AACACB
SCHEMBL31457275 0.88 HTR2A (0.47) CYP19A1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL8157883 0.85 CYP19A1 (0.42) CYP19A1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL8578415 0.85 CYP19A1 (0.42) CYP19A1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL31457256 0.84 HTR2A (0.46) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998048768-A9 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 1999-03-25 WO disclosed
US-5744203-A POLYMER MIXTURES OF POLYURETHANES, POLYESTERS, POLYIMIDES, POLYCARBONATES AND POLYUREAS HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
US-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed