SCHEMBL9399116

SCHEMBL9399116

CCCCC[C@H]1CC[C@H](c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
SPHK1 Q9NYA1 11/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
ESR2 Q92731 2/20 0.50
GAA P10253 1/20 0.46
SPHK2 Q9NRA0 7/20 0.44

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
SCHEMBL10579686 1.00 CYP2C9 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11208400 0.98 SPHK1 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11199910 0.98 SPHK1 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11196181 0.98 SPHK1 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11193637 0.98 SPHK1 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11199904 0.98 SPHK1 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11208419 0.98 SPHK1 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11192887 0.98 CYP2C9 (0.53) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11193199 0.98 SPHK1 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL11196171 0.98 SPHK1 (0.54) CYP2C9SPHK1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
EP-0087963-B1 PHTHALONITRILE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Hitachi, Ltd. (JP) 1989-05-03 EP disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
US-4479885-A Phthalonitrile derivatives and a liquid crystal composition containing the same HITACHI, LTD. (JP) 1984-10-30 US disclosed
EP-0030277-B1 PARTIALLY HYDROGENATED OLIGO-1,4-PHENYLENES, DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL INDICATING DEVICE MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed
US-4331552-A Liquid crystalline, partially hydrogenated oligo-1,4-phenylenes and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-25 US disclosed
EP-0030277-A1 Partially hydrogenated oligo-1,4-phenylenes, dielectrics containing them and electro-optical indicating device MERCK PATENT GmbH (DE) 1981-06-17 EP disclosed