SCHEMBL9537888

SCHEMBL9537888

COc1cc(-c2cccc3ccccc23)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.62
ACMSD Q8TDX5 1/20 0.62
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 1/20 0.54
DHODH Q02127 1/20 0.52
CHEK1 O14757 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
PDE10A Q9Y233 1/20 0.49
PPARG P37231 5/20 0.48
PPARA Q07869 5/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARD Q03181 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FDPS P14324 1/20 0.47
SLC22A12 Q96S37 1/20 0.47

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
SCHEMBL12149663 0.81 FDPS (0.65) MCL1ACMSDALDH1A1KDM4EHPGD
SCHEMBL10591476 0.81 FLT3 (0.54) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9534725 0.80 KDM4E (0.66) MCL1ACMSDALDH1A1KDM4EHPGD
SCHEMBL9534579 0.80 MCL1 (0.78) MCL1ACMSDALDH1A1KDM4EHPGD
SCHEMBL10893692 0.80 MCL1 (0.56) MCL1ACMSDALDH1A1KDM4EHPGD
SCHEMBL25125819 0.79 ALDH1A1 (0.59) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29788086 0.79 CHEK1 (0.60) MCL1ACMSDALDH1A1KDM4EHPGD
SCHEMBL504872 0.79 CHEK1 (0.60) MCL1ACMSDALDH1A1KDM4EHPGD
SCHEMBL29900122 0.79 ALDH1A1 (0.59) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2770512 0.78 ALDH1A1 (0.67) MCL1ALDH1A1KDM4EHPGDHSD17B10

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
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed