SCHEMBL10954452

SCHEMBL10954452

COC(=O)CNC(=O)[C@H](CC(=O)CS)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.57
▸ ACE P12821 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ ECE1 P42892 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ NPEPPS P55786 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ ABCB11 O95342 1/20 0.51

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
SCHEMBL9755806 0.85 MME (0.62) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10954449 0.84 CYP1A2 (0.54) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10954444 0.84 CYP1A2 (0.54) MMEACEALDH1A1HPGDMAPK1
SCHEMBL8165601 0.78 CYP1A2 (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10956150 0.78 CYP1A2 (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL11940451 0.77 CYP3A4 (0.63) MMEACEALDH1A1HPGDMAPK1
SCHEMBL28484063 0.77 CPA1 (0.70) MMECYP1A2
SCHEMBL6469019 0.77 CPA1 (0.70) MMECYP1A2
SCHEMBL7635307 0.76 SLC7A5 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6162382 0.76 SLC7A5 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-4513009-A GLYCINE, ALANINE AND SERINE DERIVATIVES SOCIETE CIVILE BIOPROJET (FR) 1985-04-23 — — US disclosed
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