SCHEMBL1176609

SCHEMBL1176609

[c]1ccc(Cc2ccc(Cc3cc[c]cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CALM1 P0DP23 1/20 0.42
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TASP1 Q9H6P5 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
FAAH O00519 1/20 0.33

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
SCHEMBL320687 0.97 CALM1 (0.44) ALDH1A1CYP3A4TSHRTDP1ESR1
SCHEMBL542609 0.87 IDO1 (0.44) ALDH1A1KMT2ALTA4HLMNA
SCHEMBL27767683 0.87 CYP2A6 (0.44) ALDH1A1CYP3A4TSHRTDP1ESR1
SCHEMBL8771519 0.87 CYP3A4 (0.70) ALDH1A1CYP3A4TSHRTDP1ESR1
SCHEMBL2037583 0.87 ESR1 (0.70) ALDH1A1CYP3A4TDP1ESR1ESR2
SCHEMBL3032997 0.87 IDO1 (0.44) ALDH1A1CYP3A4TSHRTDP1ESR1
SCHEMBL3533774 0.87 IDO1 (0.44) ALDH1A1CYP3A4TSHRTDP1ESR1
SCHEMBL4390804 0.87 CYP3A4 (0.39) ALDH1A1CYP3A4TSHRTDP1ESR1
SCHEMBL79755 0.85 CALM1 (0.67) ALDH1A1CYP3A4TSHRCALM1TP53
SCHEMBL27326354 0.84 IDO1 (0.42) ALDH1A1CYP3A4TSHRTDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609309-B2 Electrophotographic photoreceptor and image-forming apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2013-12-17 US disclosed
EP-1837707-B1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE-FORMING APPARATUS MITSUBISHI CHEM CORP (JP) 2013-10-02 EP disclosed
US-8288066-B2 Electroconductive support with a photosensitive layer of an arylamine-based compound; high sensitivity, chargeability, residual potential, light resistance MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-16 US disclosed
US-20110033792-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2011-02-10 US disclosed
US-20080193867-A1 Electrophotographic Photoreceptor and Image-Forming Apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2008-08-14 US disclosed
EP-1837707-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE-FORMING APPARATUS Mitsubishi Chemical Corporation (JP) 2007-09-26 EP disclosed