SCHEMBL27375877

SCHEMBL27375877

CCCCCc1c(O)ccc(C(=O)CC)c1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
HSP90AB1 P08238 1/20 0.45
KAT8 Q9H7Z6 2/20 0.44
PPARA Q07869 1/20 0.44
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR1 O14842 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38

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
SCHEMBL4017548 0.88 HSP90AB1 (0.49) HSP90AB1PPARAHTTMAPTHPGD
SCHEMBL8968774 0.85 TYR (0.50) TYRKAT8PPARAALOX5
SCHEMBL9121697 0.85 CYP1A2 (0.47) TYRKAT8PPARAMAPTMEN1
SCHEMBL9814053 0.84 TYR (0.49) TYRKAT8PPARAMAPTMEN1
SCHEMBL9814064 0.84 TYR (0.49) TYRKAT8PPARAMAPTMEN1
SCHEMBL9814051 0.84 TYR (0.49) TYRKAT8PPARAMAPTMEN1
SCHEMBL7968004 0.81 HTT (0.55) KAT8PPARAHTTMAPTMEN1
SCHEMBL27711763 0.81 HSP90AB1 (0.56) HSP90AB1HTTMAPTHPGDMEN1
SCHEMBL10727033 0.80 KAT8 (0.50) KAT8PPARAHTTHPGDKDM4E
SCHEMBL10975179 0.80 CYP1A2 (0.48) PPARAHTTMAPTHPGDLMNA

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
CN-1071423-A BICYCLIC CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 1993-04-28 CN disclosed