SCHEMBL10339442

SCHEMBL10339442

CCCCCCCCc1ccc(-c2cnc(-c3ccc(OC(C)CCCCCC)cc3F)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 10/20 0.47
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RARA P10276 2/20 0.42
▸ RARG P13631 1/20 0.42
▸ MTOR P42345 1/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 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
SCHEMBL10339441 1.00 RARB (0.47) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL14802206 0.87 RARB (0.46) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL14802205 0.85 RARB (0.44) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL14802203 0.85 RARB (0.44) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL16187780 0.85 RARB (0.52) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL16187781 0.85 RARB (0.52) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL18590717 0.85 RARB (0.52) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL8984168 0.85 RARB (0.52) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL14802204 0.84 RARB (0.43) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL8984152 0.84 RARB (0.43) RARBMAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2209873-A — — None — — JP disclosed
JP-H02209873-A OPTICALLY ACTIVE 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE DAINIPPON INK & CHEM INC 1990-08-21 — — JP disclosed
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