SCHEMBL9399207

SCHEMBL9399207

CCCCCc1ncc(CCc2ccc(OC(=O)CC)c(Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACACB O00763 7/20 0.41
ATM Q13315 1/20 0.41
ALOX15 P16050 2/20 0.40
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 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9399435 0.97 GLA (0.42) GLASMN1; SMN2ACACBATMALOX15
SCHEMBL9399184 0.86 FAAH (0.40) ALOX15S1PR2S1PR1S1PR3LPAR2
SCHEMBL9399422 0.83 FAAH (0.40) SMN1; SMN2ALOX15S1PR2S1PR1S1PR3
SCHEMBL9399542 0.83 SMN1; SMN2 (0.61) GLASMN1; SMN2ATMS1PR2S1PR1
SCHEMBL9399508 0.80 SMN1; SMN2 (0.60) GLASMN1; SMN2ATMS1PR2S1PR1
SCHEMBL9399601 0.77 ALOX15 (0.41) ATMALOX15S1PR1MAPTALDH1A1
SCHEMBL9399544 0.77 AKR1C2 (0.49) ALOX15S1PR1MAPTALDH1A1
SCHEMBL9399294 0.76 SMN1; SMN2 (0.39) GLASMN1; SMN2ATMALOX15MAPT
SCHEMBL9398799 0.76 ALOX15 (0.40) ALOX15S1PR1MAPTALDH1A1TDP1
SCHEMBL9399598 0.76 RARB (0.50) S1PR1MAPTALDH1A1

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