SCHEMBL9399117

SCHEMBL9399117

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 9/20 0.53
▸ RARA P10276 2/20 0.44
▸ RARG P13631 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ THRA P10827 1/20 0.39
▸ THRB P10828 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
SCHEMBL9775737 0.99 RARB (0.55) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9398769 0.92 RARB (0.49) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9399379 0.92 RARB (0.52) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9398914 0.91 RARB (0.54) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9399825 0.90 RARB (0.49) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9398811 0.87 RARB (0.40) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9398818 0.87 RARB (0.40) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL10549824 0.87 RARB (0.57) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL9817558 0.87 RARB (0.57) RARBRARARARGSMN1; SMN2RAB9A
SCHEMBL10551425 0.87 RARB (0.57) RARBRARARARGSMN1; SMN2RAB9A

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
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