SCHEMBL7980591

SCHEMBL7980591

COc1cc2c3ccc(OC)c(OC)c3c(=O)n(Cc3ccccc3)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
SRC P12931 2/20 0.51
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.46
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7987028 0.90 SRC (0.57) TSHRSRCALDH1A1HSD17B10HTT
SCHEMBL7980495 0.86 SRC (0.49) TSHRSRCALDH1A1HTTKMT2A
SCHEMBL7981431 0.86 SRC (0.48) TSHRSRCALDH1A1HSD17B10HTT
SCHEMBL7981786 0.85 SRC (0.56) SRCALDH1A1HTTKMT2AKDM4E
SCHEMBL7970086 0.83 SRC (0.63) TSHRSRCALDH1A1HSD17B10KMT2A
SCHEMBL7970968 0.83 TSHR (0.47) TSHRSRCALDH1A1HSD17B10HTT
SCHEMBL7987031 0.81 NOX4 (0.54) TSHRSRCMAPTEDNRBTP53
SCHEMBL9370571 0.80 SRC (0.57) TSHRSRCALDH1A1HSD17B10KMT2A
SCHEMBL10917602 0.76 TRPC5 (0.56) TSHRALDH1A1HSD17B10HTTKMT2A
SCHEMBL7983968 0.74 SRC (0.56) TSHRSRCALDH1A1HSD17B10HTT

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-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed