SCHEMBL11248414

SCHEMBL11248414

COc1ccc(OC)c(CBr)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
HTR2A P28223 1/20 0.49
IDO1 P14902 2/20 0.47
ADRA1A P35348 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AOC3 Q16853 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL1264360 0.85 HTR2A (0.62) HSD17B10HTR2AIDO1ADRA1ATAAR1
SCHEMBL9261372 0.79 AKR1C3 (0.44) MEN1KMT2A
SCHEMBL11264165 0.78 CYP2D6 (0.43) HSD17B10HTR2AADRA1AMEN1KMT2A
SCHEMBL11175226 0.78 TSHR (0.49) MEN1KMT2AHIF1ATSHR
SCHEMBL3219429 0.76 MAOB (0.55)
SCHEMBL28521698 0.76 CA12 (0.48) HSD17B10MEN1KMT2AKDM4ECA12
SCHEMBL7375669 0.76 LTA4H (0.53) IDO1TAAR1KDM4ETSHRTP53
SCHEMBL8067442 0.75 TUBB4A (0.54) HSD17B10HTR2AIDO1ADRA1ATAAR1
SCHEMBL5398999 0.75 CALM1 (0.51) IDO1TAAR1TSHR
SCHEMBL15266082 0.75 HMGCR (0.45) HSD17B10MEN1KMT2AKDM4ETSHR

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
EP-0009386-B1 2,10-DISUBSTITUTED DIBENZO(B,D)PYRANS AND BENZO(C)QUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1982-11-17 EP disclosed
US-4206225-A ANALGESICS PFIZER INC. (US) 1980-06-03 US disclosed
EP-0009386-A1 2,10-Disubstituted dibenzo(b,d)pyrans and benzo(c)quinolines and pharmaceutical compositions thereof PFIZER INC. (US) 1980-04-02 EP disclosed