SCHEMBL10037367

SCHEMBL10037367

Cc1cnc2cc(/C=C/c3ccc(C#Cc4ccc(/C=C/c5ccc6cc(C)cnc6c5)cc4)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
PDGFRB P09619 4/20 0.37
PDGFRA P16234 4/20 0.37
EGFR P00533 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 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
SCHEMBL9970469 0.84 CYP1A2 (0.50) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL10031854 0.83 PDGFRB (0.47) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL10031900 0.82 CYP1A2 (0.45) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL13167636 0.81 CYP1A2 (0.47) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL12248132 0.81 CYP1A2 (0.47) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL26634019 0.78 CYP1A2 (0.44) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL26634011 0.78 CYP1A2 (0.44) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL26787865 0.77 CYP1A2 (0.46) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL10037368 0.75 NPC1 (0.53) CYP1A2NPC1RAB9AALDH1A1RELA
SCHEMBL26634020 0.75 RAB9A (0.55) CYP1A2RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148720-B2 Organic thin film transistor and organic thin film light-emitting transistor IDEMITSU KOSAN CO., LTD. (JP) 2012-04-03 US disclosed
US-8148720-B2 Organic thin film transistor and organic thin film light-emitting transistor IDEMITSU KOSAN CO., LTD. (JP) 2012-04-03 US disclosed
US-20100051918-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
US-20100051918-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed