SCHEMBL10544633

SCHEMBL10544633

CCCCCc1cnc(-c2ccc(CCC(C)C(Cl)C(=O)O)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.59
▸ ALDH1A1 P00352 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPC1 O15118 3/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ RARA P10276 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ S1PR2 O95136 2/20 0.44
▸ S1PR1 P21453 2/20 0.44

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
SCHEMBL10544785 0.99 RARB (0.61) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10550237 0.99 RARB (0.61) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10547790 0.99 RARB (0.61) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10548441 0.99 RARB (0.61) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10528745 0.89 RARB (0.62) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10550608 0.86 RARB (0.59) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10547416 0.86 RARB (0.59) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10545439 0.85 RARB (0.61) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10547929 0.85 RARB (0.61) RARBALDH1A1RAB9AMEN1KMT2A
SCHEMBL10547385 0.85 RARB (0.61) RARBALDH1A1RAB9AMEN1KMT2A

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-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
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