SCHEMBL8196679

SCHEMBL8196679

COc1ccc(C2=C(CC(=O)O)C(=O)c3c2ccc2ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.50
▸ CCND1 P24385 1/20 0.50
▸ PPARG P37231 1/20 0.47
▸ HSP90AA1 P07900 4/20 0.46
▸ HSP90AB1 P08238 3/20 0.46
▸ GPR84 Q9NQS5 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ FGFR4 P22455 1/20 0.42

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
SCHEMBL6555686 0.80 FGFR1 (0.59) PPARGHSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL6557827 0.78 PPARG (0.62) PPARGALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6555666 0.76 PPARG (0.76) PPARGALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14150946 0.70 WDR5 (0.63) GPR84ALDH1A1SMN1; SMN2KDM4EHPGD
Acetic Acid SCHEMBL28094251 0.69 MEN1 (0.47) PPARGGPR84ALDH1A1SMN1; SMN2KDM4E
Ammonia Solution, Strong SCHEMBL23044731 0.69 MAPT (0.53) CDK4CCND1GPR84ALDH1A1SMN1; SMN2
SCHEMBL28379153 0.69 HDAC4 (0.57) CDK4CCND1GPR84ALDH1A1SMN1; SMN2
SCHEMBL9857384 0.68 ABCG2 (0.50) CDK4CCND1GPR84ALDH1A1SMN1; SMN2
SCHEMBL9857357 0.68 ABCG2 (0.50) CDK4CCND1GPR84SMN1; SMN2KMT2A
SCHEMBL8849960 0.67 PTGS1 (0.48) KDM4ETDP1L3MBTL1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6146554-A FOR PHOTOCHROMIC PLASTIC LENSES IN MASS-DYEING PROCESSES OPTISCHE WERKE G. RODENSTOCK (DE) 2000-11-14 — — US disclosed
Send feedback