SCHEMBL9740549

SCHEMBL9740549

COc1ccc(COc2ccc3[nH]c[c]c3c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
IDO1 P14902 2/20 0.38
GPR84 Q9NQS5 1/20 0.37
HDAC8 Q9BY41 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
QPCT Q16769 3/20 0.35
HTR2B P41595 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9738870 0.82 APLNR (0.42) APLNRIDO1GPR84CA2CA12
SCHEMBL310518 0.82 ALDH1A1 (0.47) GPR84CA2CA12CA1CA7
SCHEMBL9741596 0.80 TUBB1 (0.56)
SCHEMBL11307947 0.74 HSD17B10 (0.47) TDP1ALDH1A1MAPT
SCHEMBL6741447 0.72 APLNR (0.51) APLNRIDO1HDAC8CA2CA12
SCHEMBL11571607 0.70 APLNR (0.53) APLNRIDO1CA2CA12CA1
SCHEMBL9740914 0.69 TUBB1 (0.56) ALDH1A1
SCHEMBL1968319 0.69 MEN1 (0.47) GPR84CA2CA12CA1CA7
SCHEMBL6016057 0.69 KEAP1 (0.46) HTR1AALDH1A1MAPT
SCHEMBL4003210 0.69 APLNR (0.63) APLNRIDO1CA2CA12CA1

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