SCHEMBL28057409

SCHEMBL28057409

CCC(=O)C(Cc1ccccc1)(C(C)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 4/20 0.41
RECQL P46063 2/20 0.41
OPRM1 P35372 3/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 2/20 0.38
OPRD1 P41143 2/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
MMP8 P22894 2/20 0.38
CES1 P23141 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CYP2C9 P11712 2/20 0.37

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
SCHEMBL10483820 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL28180476 0.77 ALDH1A1 (0.44) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL4984505 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AALDH1A1RECQLCES1
SCHEMBL27800486 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AALDH1A1RECQLCES1
SCHEMBL340185 0.73 SRR (0.40) SMN1; SMN2HIF1ALMNA
SCHEMBL27598364 0.73 TDP1 (0.35) ALDH1A1CYP1A2
SCHEMBL28993314 0.73 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AALDH1A1RECQLOPRM1
SCHEMBL7434259 0.72 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL10500960 0.72 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ARECQLCES1PPARG
SCHEMBL31147812 0.72 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ARECQLCES1PPARG

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-103827978-B Conductive composition, conductive member, method for producing same, touch panel, and solar cell FUJIFILM CORP. (JP) 2016-05-11 CN disclosed