SCHEMBL7350252

SCHEMBL7350252

COc1cccc(C=O)c1OCCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
BCHE P06276 5/20 0.50
SCN9A Q15858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL8731751 0.91 NPC1 (0.55) NPC1RAB9ABCHESMN1; SMN2HTR1A
SCHEMBL7140583 0.85 HPGD (0.54) NPC1RAB9ASCN9ASMN1; SMN2HTR1A
SCHEMBL2821669 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2SRC
SCHEMBL9428004 0.83 ALDH1A1 (0.65) SMN1; SMN2SRC
SCHEMBL6000358 0.83 ALDH1A1 (0.65) SMN1; SMN2SRC
SCHEMBL10958852 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2PTGER4PTGER3
SCHEMBL7355906 0.82 PRMT1 (0.62) NPC1RAB9ABCHESCN9ASMN1; SMN2
SCHEMBL7355908 0.82 PRMT1 (0.62) NPC1RAB9ABCHESCN9ASMN1; SMN2
SCHEMBL636327 0.82 NPC1 (0.61) NPC1RAB9ASMN1; SMN2SRC
SCHEMBL1125006 0.82 KDM4E (0.60) NPC1RAB9ABCHEPTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297257-B1 Benzazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2001-10-02 US disclosed
EP-1060173-A2 BENZAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-12-20 EP disclosed
WO-1999032449-A2 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed