SCHEMBL9775737

SCHEMBL9775737

CCCCCCCc1cnc(-c2ccc(OC(=O)CC)c(F)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 9/20 0.55
▸ RARA P10276 2/20 0.46
▸ RARG P13631 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL9399117 0.99 RARB (0.53) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL9398914 0.92 RARB (0.54) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL9398769 0.91 RARB (0.49) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL9399379 0.91 RARB (0.52) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL9399825 0.89 RARB (0.49) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL10551425 0.88 RARB (0.57) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL10549824 0.88 RARB (0.57) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL9817558 0.88 RARB (0.57) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL10572481 0.87 RARB (0.51) RARBRARARARGSMN1; SMN2MAPT
SCHEMBL10572431 0.87 RARB (0.51) RARBRARARARGSMN1; SMN2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 — — US disclosed
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