SCHEMBL9852307

SCHEMBL9852307

COc1ccc(C(=O)C(O)=Cc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.66
CES1 P23141 2/20 0.66
MAPT P10636 6/20 0.58
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
HSPD1 P10809 1/20 0.58
TNFRSF1A P19438 1/20 0.58
MAOB P27338 1/20 0.58
HSPE1 P61604 1/20 0.58
CYP1B1 Q16678 1/20 0.58
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
PAX8 Q06710 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TRPA1 O75762 1/20 0.50

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
SCHEMBL25193128 0.87 MAPT (0.57) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL27301045 0.85 CES2 (0.64) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL27977334 0.84 CES2 (0.67) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL626786 0.82 AKR1C1 (0.57) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL11886125 0.82 AKR1C1 (0.57) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL13718665 0.82 AKR1C1 (0.57) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL5084327 0.81 CES2 (0.62) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL527100 0.80 NQO2 (0.71) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL10669156 0.80 NQO2 (0.71) CES2CES1MAPTALDH1A1KMT2A
SCHEMBL2156563 0.80 CES2 (1.00) CES2CES1MAPTCA1CA2

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
EP-0428398-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-22 EP claimed