SCHEMBL9505874

SCHEMBL9505874

CCCCCC[C@H]1CC[C@H](COc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
PLA2G4B P0C869 7/20 0.59
RARB P10826 4/20 0.57
PLA2G4A P47712 1/20 0.54
PARP15 Q460N3 3/20 0.54
PARP10 Q53GL7 3/20 0.54
PARP2 Q9UGN5 2/20 0.54
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL9506654 1.00 TP53 (0.61) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9505871 1.00 TP53 (0.61) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9506600 1.00 TP53 (0.61) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9506603 1.00 TP53 (0.61) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9506651 1.00 TP53 (0.61) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9506613 0.99 TP53 (0.58) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9506610 0.99 TP53 (0.58) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9506623 0.95 PARP15 (0.56) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9506626 0.95 PARP15 (0.56) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9592852 0.91 TP53 (0.71) TP53TSHRPLA2G4BRARBPLA2G4A

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-0372033-B1 THERMOCHROMIC ESTERS MERCK PATENT GmbH (DE) 1993-08-11 EP claimed