SCHEMBL9365627

SCHEMBL9365627

CC(NC(=O)[C@](C)(Cc1ccc2c(c1)OCO2)P(=O)(O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.46
▸ HPGD P15428 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9365279 0.82 SMN1; SMN2 (0.48) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL9369122 0.77 MME (0.50) MMEACE
SCHEMBL8861625 0.74 ACE (0.54) MMEACEPOLBALDH1A1CYP2D6
SCHEMBL19326700 0.72 MEN1 (0.61) HPGDPOLBCYP3A4CYP1A2CYP2C19
SCHEMBL19326702 0.72 MEN1 (0.61) HPGDPOLBCYP3A4CYP1A2CYP2C19
SCHEMBL6938275 0.71 CYP3A4 (0.52) MMEHPGDPOLBCYP3A4CYP1A2
SCHEMBL1717641 0.70 CYP3A4 (0.56) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL3099172 0.70 CYP3A4 (0.56) HPGDCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL8861615 0.70 MME (0.62) MMEHPGDACEALDH1A1CYP2D6
SCHEMBL30569656 0.70 MME (0.62) MMEHPGDACEALDH1A1CYP2D6

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
EP-0419327-B1 Amino acid derivatives, method for their preparation and their therapeutic application BIOPROJET SOC CIV (FR) 1994-07-27 — — EP claimed
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