SCHEMBL17070348

SCHEMBL17070348

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCCO)cc3CC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ SPHK2 Q9NRA0 7/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL16807062 1.00 SPHK1 (0.45) SPHK1FFAR4CYP2C9ESR2SPHK2
SCHEMBL16774552 1.00 SPHK1 (0.45) SPHK1FFAR4CYP2C9ESR2SPHK2
SCHEMBL16807082 0.99 SPHK1 (0.47) SPHK1FFAR4CYP2C9ESR2SPHK2
SCHEMBL16807055 0.97 SPHK1 (0.47) SPHK1FFAR4CYP2C9ESR2SPHK2
SCHEMBL16807046 0.97 SPHK1 (0.43) SPHK1FFAR4CYP2C9ESR2SPHK2
SCHEMBL16807060 0.96 SPHK1 (0.48) SPHK1FFAR4CYP2C9SPHK2
SCHEMBL16807053 0.96 SPHK1 (0.48) SPHK1FFAR4CYP2C9SPHK2
SCHEMBL16807067 0.96 SPHK1 (0.48) SPHK1FFAR4CYP2C9SPHK2
SCHEMBL16807059 0.94 SPHK1 (0.43) SPHK1FFAR4CYP2C9ESR2SPHK2
SCHEMBL30967307 0.94 SPHK1 (0.43) SPHK1FFAR4CYP2C9ESR2SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918658-B1 Liquid crystalline media with homeotropic alignment MERCK PATENT GMBH (DE) 2020-05-13 — — EP disclosed
EP-3323872-B1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2020-04-15 — — EP disclosed
US-10513657-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-12-24 — — US disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 — — US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 — — US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 — — US disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
US-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 — — US disclosed
US-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 — — US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
WO-2017045740-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2017-03-23 — — WO disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 — — WO disclosed
EP-2918658-A2 Liquid crystalline media with homeotropic alignment Merck Patent GmbH (DE) 2015-09-16 — — EP disclosed
US-20150252265-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2015-09-10 — — US disclosed
US-20150252265-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2015-09-10 — — US disclosed
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