SCHEMBL9738870

SCHEMBL9738870

COc1ccc(Cc2ccc3[nH]c[c]c3c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
GPR84 Q9NQS5 2/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CSF1R P07333 1/20 0.37
NTRK2 Q16620 1/20 0.37
ALK Q9UM73 1/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CNR2 P34972 1/20 0.36
IDO1 P14902 1/20 0.35
HTR2B P41595 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
SCHEMBL9739503 0.84 IDO1 (0.45) CA2IDO1
SCHEMBL9740549 0.82 APLNR (0.42) APLNRGPR84CA2CA12CA1
SCHEMBL310518 0.79 ALDH1A1 (0.47) GPR84CA2CA12CA1CA7
SCHEMBL9739685 0.76 PDE10A (0.44) APLNRGPR84PDE10ACSF1RNTRK2
SCHEMBL5612174 0.75 APLNR (0.59) APLNRCSF1RNTRK2CA2CA12
SCHEMBL145084 0.72 APLNR (0.68) APLNRCA2CA12CA1CA7
SCHEMBL9291320 0.70 MAPK1 (0.61) APLNRCSF1RNTRK2CA2CA12
SCHEMBL5612171 0.70 APLNR (0.53) APLNRPDE10ACA2CA12CA1
SCHEMBL3300286 0.70 LTA4H (0.58) APLNR
SCHEMBL1968319 0.69 MEN1 (0.47) GPR84CA2CA12CA1CA7

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed