SCHEMBL8395177

SCHEMBL8395177

COc1ccc(CP(Cc2ccc(OC)cc2)(Cc2ccc(OC)cc2)(Cc2ccc(OC)cc2)OB(OCCCC(c2ccc(C)cc2)c2ccc(C)cc2)OCCCC(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CASR P41180 1/20 0.38
UTS2R Q9UKP6 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PSMB5 P28074 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 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
SCHEMBL8396356 0.92 CASR (0.46) TP53CASRCNR1CNR2MITF
SCHEMBL8396337 0.81 CYP1A2 (0.39) MEN1KMT2APSMB5ALDH1A1CYP1A2
SCHEMBL8398752 0.79 CYP19A1 (0.37) CASRCNR1CNR2MEN1KMT2A
SCHEMBL8399116 0.76 CYP19A1 (0.38) CNR1CNR2MEN1KMT2A
SCHEMBL8395239 0.76 CYP19A1 (0.35) CNR1CNR2MEN1KMT2A
SCHEMBL8398772 0.74 CYP19A1 (0.33) CNR1CNR2LMNANPSR1MEN1
SCHEMBL8397636 0.72 CYP19A1 (0.38) CASRCNR1CNR2
SCHEMBL8398554 0.72 CYP1A2 (0.39) PSMB5ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL8397681 0.70 HRH1 (0.44) CNR1CNR2LMNATDP1
SCHEMBL8396343 0.69 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19LDHATDP1

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-0613058-B1 Light-decolorizable recording material SHOWA DENKO KK (JP) 1999-06-02 EP disclosed
US-5846682-A Light decolorizable recording material, ink and toner SHOWA DENKO K.K. (JP) 1998-12-08 US disclosed
EP-0613058-A1 Light-decolorizable recording material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-08-31 EP disclosed