SCHEMBL7907571

SCHEMBL7907571

CC(C)CC(C)(c1cc(C(C)C)c(OCCO)c(C(C)C)c1)c1cc(C(C)C)c(OCCO)c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
PPARG P37231 2/20 0.32
RXRG P48443 2/20 0.32
SRD5A2 P31213 1/20 0.31
GLRA1 P23415 1/20 0.31

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
SCHEMBL7912707 0.84 HTR1A (0.38) CYP3A4SMN1; SMN2
SCHEMBL7048859 0.84 RORC (0.37) CYP3A4SMN1; SMN2SRD5A2GLRA1
SCHEMBL7899724 0.81 ALDH1A1 (0.36) CYP3A4SMN1; SMN2
SCHEMBL7899686 0.81 CYP3A4 (0.32) CYP3A4SMN1; SMN2
SCHEMBL7899687 0.78 NR1H2 (0.35) CYP3A4SMN1; SMN2PPARG
SCHEMBL346407 0.73 SMN1; SMN2 (0.57) CYP3A4SMN1; SMN2RARB
SCHEMBL7908953 0.72 VDR (0.47)
SCHEMBL8681820 0.70 THRA (0.39) RARBSRD5A2GLRA1
SCHEMBL5873464 0.70 GABRA1 (0.50) CYP3A4
SCHEMBL7912756 0.69 ESR1 (0.38) CYP3A4SMN1; SMN2RARARARBPPARG

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