SCHEMBL31530461

SCHEMBL31530461

C[C@H](N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.53
TAAR1 Q96RJ0 3/20 0.49
SLC6A2 P23975 1/20 0.49
FOLH1 Q04609 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL31530453 0.89 SLC7A5 (0.50) SLC7A5TAAR1SLC6A2FOLH1MMP2
SCHEMBL31530465 0.89 SLC7A5 (0.50) SLC7A5TAAR1SLC6A2FOLH1MMP2
SCHEMBL31530466 0.89 SLC7A5 (0.50) SLC7A5TAAR1SLC6A2FOLH1MMP2
SCHEMBL30439386 0.88 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL7328718 0.88 MMP2 (0.50) SLC7A5TAAR1SLC6A2MMP2MMP9
SCHEMBL16275180 0.87 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL16275179 0.87 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL3354528 0.84 SLC7A5 (0.55) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL7373699 0.81 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL31127604 0.81 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2FOLH1ESR1

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
WO-2025047793-A1 NOVEL COMPOUND HAVING ACTIVITY-ENHANCING EFFECT ON ANTIFUNGAL DRUGS, AND METHOD FOR PRODUCING SAME 学校法人北里研究所 2025-03-06 WO disclosed