SCHEMBL24851990

SCHEMBL24851990

C[C@@H](CCC(N)=O)c1ccc(Cc2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 5/20 0.52
▸ KDM4E B2RXH2 9/20 0.47
▸ TSHR P16473 5/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL24851991 0.88 IL4I1 (0.51) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852716 0.82 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852551 0.75 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852553 0.75 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24851976 0.75 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852552 0.75 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852550 0.75 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24851708 0.74 IL4I1 (0.63) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852702 0.74 IL4I1 (0.51) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL5476505 0.73 KDM4E (0.45) IL4I1KDM4ETSHRALDH1A1HSD17B10

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-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
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