SCHEMBL7909209

SCHEMBL7909209

CCC(C)C(c1ccc(OCCO)cc1)(c1ccc(OCCO)cc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
CYP3A4 P08684 2/20 0.50
NR1I2 O75469 1/20 0.46
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
CYP19A1 P11511 1/20 0.36
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL7912770 0.89 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5499577 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL7899738 0.80 ESR1 (0.47) KDM4E
SCHEMBL7906132 0.77 ESR1 (0.38) SMN1; SMN2CYP3A4ALDH1A1KMT2AKDM4E
SCHEMBL5498718 0.77 SMN1; SMN2 (0.60) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL7907594 0.75 S1PR1 (0.31) KMT2AGAA
SCHEMBL17042361 0.74 ESR1 (0.47) CYP3A4LMNATDP1
SCHEMBL5500321 0.74 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5495193 0.74 SMN1; SMN2 (0.53) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5498736 0.74 SMN1; SMN2 (0.53) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL

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