SCHEMBL7912684

SCHEMBL7912684

CC(C)CC(c1ccc(OCCO)cc1)(c1ccc(OCCO)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RARB P10826 1/20 0.36
EPHX2 P34913 1/20 0.36
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB2 P49721 1/20 0.34
CYP19A1 P11511 1/20 0.34
NR1H2 P55055 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
SCHEMBL346407 0.82 SMN1; SMN2 (0.57) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL7912770 0.80 SMN1; SMN2 (0.57) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL7899717 0.79 ESR1 (0.45) KDM4EAR
SCHEMBL5498718 0.78 SMN1; SMN2 (0.60) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL7909148 0.76 HTR1A (0.37) CYP3A4SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL7906103 0.76 ESR1 (0.38) CYP3A4SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL9818198 0.73 SMN1; SMN2 (0.68) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL270793 0.73 SMN1; SMN2 (0.68) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL79031 0.73 SMN1; SMN2 (0.68) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL4254052 0.73 SMN1; SMN2 (0.68) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL

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