SCHEMBL7909148

SCHEMBL7909148

Cc1cc(C(CC(C)C)(c2cc(C)c(OCCO)c(C)c2)C(C)C)cc(C)c1OCCO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 1/20 0.33
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
AAK1 Q2M2I8 2/20 0.30
SCN4A P35499 2/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PLAU P00749 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 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
SCHEMBL7906090 0.84 GAA (0.31) GAAKMT2AHSD17B10
SCHEMBL7912707 0.83 HTR1A (0.38) HTR1AKDM4EALDH1A1BRD4S1PR1
SCHEMBL7899717 0.81 ESR1 (0.45) HTR1AKDM4EAAK1
SCHEMBL7908932 0.80 HTR1A (0.40) HTR1AKDM4EALDH1A1BRD4S1PR1
SCHEMBL7907550 0.79 HTR1A (0.39) HTR1AKDM4EALDH1A1BRD4S1PR1
SCHEMBL7912684 0.76 CYP3A4 (0.51) KDM4EALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL8201459 0.74 HTR1A (0.43) HTR1AKDM4EALDH1A1BRD4S1PR1
SCHEMBL347042 0.74 HTR1A (0.43) HTR1AKDM4EALDH1A1BRD4S1PR1
SCHEMBL7908972 0.74 HTR1A (0.36) HTR1AKDM4EALDH1A1BRD4S1PR1
SCHEMBL14416508 0.73 HTR1A (0.42) HTR1AKDM4EALDH1A1BRD4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187493-B1 CHARGE GENERATING MATERIAL AND ELECTRON TRANSFER MATERIAL UNIFORMLY DISPERSED WITHIN COMPATIBLE POLYESTER BINDER; PHOTOSENSITIVITY, WEAR RESISTANCE, ADHESION TO ELECTROCONDUCTIVE SUBSTRATE KYOCERA MITA CORPORATION (JP) 2001-02-13 US disclosed
EP-0738934-A2 Electrophotosensitive material MITA INDUSTRIAL CO., LTD. (JP) 1996-10-23 EP disclosed