SCHEMBL3948637

SCHEMBL3948637

CCCCCCCC/C=C\CCCCCCCC(=O)Oc1cc(O)ccc1CCCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.60
CNR1 P21554 9/20 0.60
ELANE P08246 1/20 0.52
POLM Q9NP87 1/20 0.51
POLK Q9UBT6 1/20 0.51
POLL Q9UGP5 1/20 0.51
POLH Q9Y253 1/20 0.51
PSMB11 A5LHX3 1/20 0.48
PSMA7 O14818 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMA1 P25786 1/20 0.48
PSMA2 P25787 1/20 0.48
PSMA3 P25788 1/20 0.48
PSMA4 P25789 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMA5 P28066 1/20 0.48
PSMB4 P28070 1/20 0.48
PSMB6 P28072 1/20 0.48
PSMB5 P28074 1/20 0.48

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
SCHEMBL3946747 0.93 CNR2 (0.67) CNR2CNR1MEN1TP53CYP3A4
SCHEMBL27912643 0.91 ELANE (0.52) CNR2CNR1ELANEPOLMPOLK
SCHEMBL3950873 0.84 CNR2 (0.57) CNR2CNR1MEN1TP53CYP3A4
SCHEMBL10780257 0.84 THRA (0.61) ELANEPOLMPOLKPOLLPOLH
SCHEMBL3952691 0.83 CNR2 (0.57) CNR2CNR1MEN1TP53CYP3A4
SCHEMBL3034727 0.83 CNR2 (0.57) CNR2CNR1MEN1TP53CYP3A4
SCHEMBL28064157 0.81 ELANE (0.49) CNR2CNR1ELANEPOLMPOLK
SCHEMBL27293376 0.80 CNR2 (0.55) CNR2CNR1MEN1TP53CYP3A4
SCHEMBL3030328 0.79 CNR2 (0.55) CNR2CNR1MEN1TP53CYP3A4
SCHEMBL562484 0.79 ELANE (0.48) CNR1ELANEPOLMPOLKPOLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009021590-A1 TYROSINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-02-19 WO claimed
WO-2009021590-A1 TYROSINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-02-19 WO disclosed