SCHEMBL9406503

SCHEMBL9406503

C=CCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.41
ESR1 P03372 6/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 3/20 0.32
CHRM4 P08173 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL9406495 1.00 ESR2 (0.41) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL9160317 1.00 ESR2 (0.41) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL9252142 0.91 ESR2 (0.39) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL9252157 0.91 ESR2 (0.39) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL9252150 0.91 ESR2 (0.39) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL19850825 0.91 ESR2 (0.41) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL8038575 0.91 ESR2 (0.41) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL9136437 0.90 ESR2 (0.38) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL8038589 0.88 ESR2 (0.36) ESR2ESR1CYP2C9CYP3A4ALDH1A1
SCHEMBL6457695 0.87 ESR2 (0.32) ESR2ESR1CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457869-B2 Liquid crystal composition and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2019-10-29 US disclosed
US-20180037818-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-02-08 US disclosed
EP-0355552-B1 Alkoxymethyl- and alkenyloxymethyl-cyclohexanes HOFFMANN LA ROCHE (CH) 1994-02-23 EP disclosed
US-5185098-A Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls HOFFMANN-LA ROCHE INC. (US) 1993-02-09 US disclosed
US-5102578-A Electrooptics HOFFMANN-LA ROCHE INC. (US) 1992-04-07 US disclosed