SCHEMBL9399734

SCHEMBL9399734

CCCCCc1ccc([C@H]2CC[C@H](CCCCC)CC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.43
CYP2C9 P11712 1/20 0.39
SPHK2 Q9NRA0 7/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9398806 0.99 SPHK1 (0.45) SPHK1CYP2C9SPHK2MAPTMEN1
SCHEMBL9398743 0.99 SPHK1 (0.45) SPHK1CYP2C9SPHK2MAPTMEN1
SCHEMBL9398581 0.99 SPHK1 (0.45) SPHK1CYP2C9SPHK2MAPTMEN1
SCHEMBL19722327 0.94 SPHK1 (0.40) SPHK1CYP2C9SPHK2MAPTALDH1A1
SCHEMBL9399276 0.93 SPHK1 (0.42) SPHK1CYP2C9SPHK2MAPTALDH1A1
SCHEMBL9433845 0.93 SPHK1 (0.43) SPHK1CYP2C9SPHK2MAPTALDH1A1
SCHEMBL9399591 0.91 SPHK1 (0.50) SPHK1CYP2C9SPHK2
SCHEMBL9434174 0.91 SPHK1 (0.47) SPHK1CYP2C9SPHK2
SCHEMBL9398961 0.91 CYP2C9 (0.42) SPHK1CYP2C9SPHK2MAPTALDH1A1
SCHEMBL9398790 0.91 CYP2C9 (0.42) SPHK1CYP2C9SPHK2MAPTALDH1A1

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 8 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
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
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed