SCHEMBL9851008

SCHEMBL9851008

Nc1cc(O)ccc1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.67
BCL2 P10415 1/20 0.53
BCL2L1 Q07817 1/20 0.53
HSD17B3 P37058 1/20 0.46
KEAP1 Q14145 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL21010901 0.88 ESR1 (0.52) ALOX5KEAP1MEN1KMT2AMAPT
SCHEMBL11764362 0.82 ALOX5 (0.74) ALOX5BCL2BCL2L1HSD17B3KEAP1
SCHEMBL27743753 0.81 ALOX5 (0.67) ALOX5BCL2BCL2L1HSD17B3KEAP1
SCHEMBL29655583 0.80 ALOX5 (1.00) ALOX5BCL2BCL2L1HSD17B3KEAP1
SCHEMBL29655585 0.80 ALOX5 (1.00) ALOX5BCL2BCL2L1HSD17B3KEAP1
SCHEMBL1514183 0.80 HTR2A (0.48) ALOX5BCL2BCL2L1MAPTCYP3A4
SCHEMBL68292 0.80 ALOX5 (1.00) ALOX5BCL2BCL2L1HSD17B3KEAP1
SCHEMBL6292267 0.80 ALOX5 (0.71) ALOX5BCL2BCL2L1HSD17B3KEAP1
SCHEMBL9656059 0.77 CYP3A4 (0.58) ALOX5BCL2BCL2L1MEN1KMT2A
SCHEMBL810597 0.77 HDAC6 (0.47) ALOX5BCL2BCL2L1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107973727-A Between disubstituted benzenes phenolic compounds and preparation method thereof and anti-tubercle bacillus application 中山大学 2018-05-01 CN disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed