SCHEMBL7906103

SCHEMBL7906103

CCc1cc(C(CC(C)C)(c2ccc(OCCO)c(CC)c2)C(C)C)ccc1OCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
SRD5A2 P31213 1/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 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
SCHEMBL7912756 0.85 ESR1 (0.38) ESR1SRD5A2GAAKMT2ACYP3A4
SCHEMBL7899717 0.85 ESR1 (0.45) ESR1KDM4EAAK1VDR
SCHEMBL7899749 0.83 ESR1 (0.40) ESR1SRD5A2GAAKMT2ACYP3A4
SCHEMBL7907551 0.82 CYP3A4 (0.38) ESR1SRD5A2GAAKMT2ACYP3A4
SCHEMBL7906090 0.82 GAA (0.31) GAAKMT2AHSD17B10
SCHEMBL7906132 0.79 ESR1 (0.38) ESR1SRD5A2GAAKMT2ACYP3A4
SCHEMBL7912746 0.79 ESR1 (0.53) ESR1ESR2VDR
SCHEMBL7912684 0.76 CYP3A4 (0.51) GAAKMT2ACYP3A4KDM4ELMNA
SCHEMBL7899694 0.75 PPARG (0.42) ESR1CYP3A4USP2LMNAHSD17B10
SCHEMBL17116340 0.74 CYP3A4 (0.57) ESR1GAAKMT2ACYP3A4KDM4E

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