SCHEMBL9308768

SCHEMBL9308768

COc1c(C)c(C)c(OC)c(C(CCCC#N)c2ccccc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.37
CYP2C9 P11712 5/20 0.35
HTR2A P28223 3/20 0.34
HRH1 P35367 3/20 0.34
SIGMAR1 Q99720 1/20 0.33
TBXA2R P21731 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9549593 0.86 TBXAS1 (0.38) KMT2AKDM4EALDH1A1MAPK1
SCHEMBL9311318 0.84 CYP2C9 (0.33) CYP2C9HTR2AHRH1SIGMAR1TBXA2R
SCHEMBL9662366 0.84 SIGMAR1 (0.38) CYP2C9HTR2AHRH1SIGMAR1TBXA2R
SCHEMBL9310821 0.84 HRH1 (0.37) CYP2C9HTR2AHRH1SIGMAR1TBXA2R
SCHEMBL9310772 0.83 HTR2A (0.36) CYP2C9HTR2AHRH1SIGMAR1TBXA2R
SCHEMBL10866141 0.83 SIGMAR1 (0.41) CYP2C9HTR2AHRH1SIGMAR1TBXA2R
SCHEMBL9549752 0.82 TBXAS1 (0.41) KMT2AKDM4EALDH1A1MAPK1
SCHEMBL9311108 0.82 SIGMAR1 (0.36) CYP2C9HTR2AHRH1SIGMAR1TBXA2R
SCHEMBL9310562 0.82 MEN1 (0.42) CYP2C9HTR2AHRH1SIGMAR1TBXA2R
SCHEMBL10864346 0.82 SIGMAR1 (0.35) CYP2C9HTR2AHRH1SIGMAR1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed