SCHEMBL9169538

SCHEMBL9169538

CCCCCC/C=C/C(=O)c1c(CCCC(=O)OCc2ccc(OC)cc2)[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.44
CNR2 P34972 3/20 0.44
OXER1 Q8TDS5 1/20 0.44
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.38
HTR1A P08908 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL9160603 1.00 CNR1 (0.44) CNR1CNR2OXER1CYP2D6POLB
SCHEMBL9161664 1.00 CNR1 (0.44) CNR1CNR2OXER1CYP2D6POLB
SCHEMBL9165518 0.87 OXER1 (0.45) CNR1OXER1POLBMEN1ALDH1A1
SCHEMBL9163742 0.86 OXER1 (0.44) CNR1CNR2OXER1POLBMEN1
SCHEMBL9159829 0.86 OXER1 (0.44) CNR1CNR2OXER1POLBMEN1
SCHEMBL9169103 0.81 OXER1 (0.66) OXER1CYP2D6POLBALDH1A1MAPT
SCHEMBL9164485 0.81 OXER1 (0.66) OXER1CYP2D6POLBALDH1A1MAPT
SCHEMBL9162650 0.76 OXER1 (0.53) OXER1CYP2D6POLBMEN1ALDH1A1
SCHEMBL8959644 0.76 CNR2 (0.58) CNR1CNR2
SCHEMBL8960000 0.76 CNR2 (0.58) CNR1CNR2

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
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed