SCHEMBL28373608

SCHEMBL28373608

CCCCCCc1ccc(C(=O)C(=O)Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ RARA P10276 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ MTOR P42345 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ THRA P10827 4/20 0.56
▸ THRB P10828 4/20 0.56
▸ S1PR1 P21453 1/20 0.54
▸ TRPV1 Q8NER1 1/20 0.53
▸ HAO1 Q9UJM8 1/20 0.53
▸ SPHK1 Q9NYA1 2/20 0.52
▸ PLK1 P53350 3/20 0.52
▸ PLK3 Q9H4B4 3/20 0.52

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
SCHEMBL28373505 1.00 RARB (0.65) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL28373605 0.89 NPC1 (0.54) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL12491077 0.84 THRA (0.69) THRATHRBS1PR1SPHK1
SCHEMBL15329730 0.84 THRA (0.69) THRATHRBS1PR1SPHK1
SCHEMBL503506 0.84 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL18979307 0.84 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2185929 0.84 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL503648 0.84 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL270423 0.84 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1164529 0.84 RARB (0.90) RARBMEN1ALDH1A1RARAMAPT

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
CN-110963935-A 1-phenyl-2-aminoacetophenone derivative and medical application thereof 中国人民解放军军事科学院军事医学研究院 2020-04-07 — — CN claimed
CN-110963935-A 1-phenyl-2-aminoacetophenone derivative and medical application thereof 中国人民解放军军事科学院军事医学研究院 2020-04-07 — — CN disclosed
Send feedback