SCHEMBL9399435

SCHEMBL9399435

CCCCCc1cnc(CCc2ccc(OC(=O)CC)c(Cl)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACACB O00763 6/20 0.40
ATM Q13315 1/20 0.40
ALOX15 P16050 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
RARB P10826 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
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
SCHEMBL9399207 0.97 GLA (0.43) GLASMN1; SMN2ACACBATMALOX15
SCHEMBL9399422 0.87 FAAH (0.40) SMN1; SMN2ALOX15PPARGPPARARARB
SCHEMBL9399508 0.83 SMN1; SMN2 (0.60) GLASMN1; SMN2ATMS1PR2S1PR1
SCHEMBL9399184 0.83 FAAH (0.40) ALOX15PPARGPPARARARBS1PR2
SCHEMBL9399542 0.80 SMN1; SMN2 (0.61) GLASMN1; SMN2ATMS1PR2S1PR1
SCHEMBL9399544 0.79 AKR1C2 (0.49) ALOX15RARBS1PR1MAPT
SCHEMBL9398828 0.78 RARB (0.50) RARBS1PR1MAPT
SCHEMBL9399598 0.78 RARB (0.50) RARBS1PR1MAPT
SCHEMBL9399681 0.77 RAB9A (0.41) GLASMN1; SMN2ATMRARBMAPT
SCHEMBL15548395 0.76 ALOX15 (0.63) ALOX15PPARGPPARA

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