SCHEMBL9757423

SCHEMBL9757423

CCCc1cccc2oc(C(=O)O)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 6/20 0.41
FAAH O00519 9/20 0.37
MCL1 Q07820 5/20 0.37
ELANE P08246 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NR4A2 P43354 1/20 0.36
BID P55957 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL24588214 0.76 ELANE (0.41) ELANEMTNR1AMTNR1B
SCHEMBL3817775 0.76 AGPAT2 (0.41) DAGLAMCL1ELANENR4A2
SCHEMBL9757021 0.75 MCL1 (0.35) DAGLAMCL1MTNR1AMTNR1BKAT8
SCHEMBL3614007 0.75 AGPAT2 (0.41) DAGLAMCL1ELANENR4A2
SCHEMBL4791688 0.74 MAOB (0.50) DAGLANR4A2
SCHEMBL28009417 0.73 IDO1 (0.40) DAGLAFAAHELANENR4A2
SCHEMBL9757019 0.72 PTPN1 (0.38)
SCHEMBL30084620 0.72 NR4A2 (0.42) DAGLAFAAHNR4A2
SCHEMBL10396515 0.71 BID (0.43) MCL1NR4A2BIDBCL2L1BAK1
SCHEMBL2960024 0.71 NR4A2 (0.49) DAGLANR4A2

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
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed