SCHEMBL9399379

SCHEMBL9399379

CCCCCc1cnc(-c2ccc(OC(=O)CCCC)c(F)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 9/20 0.52
▸ RARA P10276 2/20 0.43
▸ RARG P13631 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ THRA P10827 1/20 0.39

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
SCHEMBL9398914 0.99 RARB (0.54) RARBRARARARGALOX15SMN1; SMN2
SCHEMBL9399117 0.92 RARB (0.53) RARBRARARARGALOX15SMN1; SMN2
SCHEMBL9775737 0.91 RARB (0.55) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9399685 0.87 RARB (0.52) RARBALOX15SMN1; SMN2RAB9ANPC1
SCHEMBL9624108 0.86 RARB (0.47) RARBRARARARGALOX15SMN1; SMN2
SCHEMBL9817558 0.86 RARB (0.57) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9399716 0.86 RARB (0.54) RARBRARAALOX15SMN1; SMN2RAB9A
SCHEMBL10549824 0.86 RARB (0.57) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL10551425 0.86 RARB (0.57) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9476853 0.85 RARB (0.48) RARBRARARARGALOX15SMN1; SMN2

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 7 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-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
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