SCHEMBL17866684

SCHEMBL17866684

CCCCCCC1CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.63
ESR1 P03372 6/20 0.57
CYP2C9 P11712 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SPHK1 Q9NYA1 3/20 0.48

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
SCHEMBL9815696 1.00 ESR2 (0.63) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL9379991 1.00 ESR2 (0.63) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL4337530 1.00 ESR2 (0.63) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL27650866 1.00 ESR2 (0.63) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL17866683 1.00 ESR2 (0.63) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL9379988 1.00 ESR2 (0.63) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL19722185 1.00 ESR2 (0.63) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL1531772 0.98 ESR2 (0.65) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL220950 0.98 ESR2 (0.65) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10765120 0.95 ESR2 (0.58) ESR2ESR1CYP2C9CYP3A4CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1810924-A New liquid crystal compound in mesomorphic structure and its synthesis UNIV YANBIAN (CN) 2006-08-02 CN claimed
US-9599760-B2 Composition for optical film, and films and display device SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-03-21 US disclosed
US-20160187552-A1 COMPOSITION FOR OPTICAL FILM, AND FILMS AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US disclosed
CN-1810924-A New liquid crystal compound in mesomorphic structure and its synthesis UNIV YANBIAN (CN) 2006-08-02 CN disclosed