SCHEMBL11033780

SCHEMBL11033780

C=CCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.38
ESR1 P03372 6/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2D6 P10635 1/20 0.34
DGAT1 O75907 2/20 0.34
GRM2 Q14416 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11033776 1.00 ESR2 (0.38) ESR2ESR1PTGS1PTGS2CYP3A4
SCHEMBL11308480 0.95 ESR2 (0.41) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL11217898 0.92 ESR2 (0.43) ESR2ESR1CYP3A4CYP2C9NPC1
SCHEMBL11217896 0.92 ESR2 (0.43) ESR2ESR1CYP3A4CYP2C9NPC1
SCHEMBL19850828 0.90 ESR2 (0.38) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL2857117 0.88 SLC6A2 (0.33) PTGS1PTGS2GRM2MAPTTDP1
SCHEMBL2853591 0.88 PTGS2 (0.36) ESR2ESR1PTGS1PTGS2CYP3A4
SCHEMBL9339576 0.88 DGAT1 (0.34) NPC1RAB9ADGAT1GRM2MAPT
SCHEMBL9338974 0.88 DGAT1 (0.34) NPC1RAB9ADGAT1GRM2MAPT
SCHEMBL9013801 0.88 ESR2 (0.41) ESR2ESR1CYP3A4CYP2C9CYP2D6

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
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
US-4545922-A Liquid crystalline fluorine-containing cyclohexylbiphenyls and dielectrics and electro-optical display elements based thereon MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-08 US disclosed
US-4415470-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-11-15 US disclosed