SCHEMBL7899694

SCHEMBL7899694

CCCc1cc(C(C)(CC(C)C)c2ccc(OCCO)c(CCC)c2)ccc1OCCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
PPARD Q03181 5/20 0.42
PPARA Q07869 5/20 0.42
NR1H2 P55055 7/20 0.38
NR1H3 Q13133 7/20 0.38
ESR1 P03372 1/20 0.37
VDR P11473 1/20 0.36
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 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
SCHEMBL7912756 0.90 ESR1 (0.38) PPARGPPARDPPARAESR1VDR
SCHEMBL7899687 0.83 NR1H2 (0.35) PPARGPPARANR1H2NR1H3CYP3A4
SCHEMBL7908953 0.82 VDR (0.47) ESR1VDR
SCHEMBL7899724 0.80 ALDH1A1 (0.36) ESR1VDRCYP3A4LMNASMN1; SMN2
SCHEMBL5495360 0.78 PPARG (0.43) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL31296232 0.76 ESR1 (0.45) ESR1CYP3A4GABRA1GABRB2
SCHEMBL7906103 0.75 ESR1 (0.38) PPARGPPARDPPARAESR1VDR
SCHEMBL7899686 0.74 CYP3A4 (0.32) CYP3A4USP2LMNAHSD17B10SMN1; SMN2
SCHEMBL346407 0.73 SMN1; SMN2 (0.57) CYP3A4LMNASMN1; SMN2
SCHEMBL7907551 0.73 CYP3A4 (0.38) PPARGPPARDPPARAESR1VDR

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