SCHEMBL18647234

SCHEMBL18647234

CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(C)C)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 14/20 0.55
▸ ACE2 Q9BYF1 11/20 0.55
▸ ACE P12821 10/20 0.55
▸ CPA1 P15085 10/20 0.55
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ FPR2 P25090 1/20 0.50

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
SCHEMBL18608747 0.90 TSHR (0.63) TSHRKMT2A
SCHEMBL18588857 0.89 MME (0.54) MMEACE2ACECPA1TSHR
SCHEMBL18588859 0.89 MME (0.54) MMEACE2ACECPA1TSHR
SCHEMBL22880671 0.88 TSHR (0.55) MMEACE2ACECPA1TSHR
SCHEMBL18603730 0.87 FPR2 (0.65) MMEACE2ACECPA1KMT2A
SCHEMBL18603732 0.87 FPR2 (0.65) MMEACE2ACECPA1KMT2A
SCHEMBL25101089 0.87 POLB (0.53) KMT2ACNR2
SCHEMBL20862301 0.87 POLB (0.53) KMT2ACNR2
SCHEMBL22111634 0.87 POLB (0.53) KMT2ACNR2
SCHEMBL22457647 0.87 MME (0.67) MMEACE2ACECPA1

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-2017044584-A1 PSMA-TARGETED NIR DYES AND THEIR USES On Target Laboratories, LLC (US) 2017-03-16 — — WO disclosed
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