SCHEMBL24853030

SCHEMBL24853030

N#C[C@]1(c2ccc(Cc3cc4ccccc4[nH]c3=O)cc2)C[C@@H](O)C1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.78
▸ ALDH1A1 P00352 8/20 0.40
▸ KDM4E B2RXH2 7/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 2/20 0.38

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
SCHEMBL24853031 1.00 IL4I1 (0.78) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL24852529 1.00 IL4I1 (0.78) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL24852527 0.88 IL4I1 (1.00) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL24853032 0.86 IL4I1 (0.91) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL24851965 0.86 IL4I1 (0.83) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL24852038 0.85 IL4I1 (0.81) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL24852524 0.83 IL4I1 (0.85) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL3717832 0.75 IL4I1 (0.66) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL24852647 0.73 IL4I1 (0.63) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL24852649 0.73 IL4I1 (0.63) IL4I1ALDH1A1KDM4ESMN1; SMN2HSD17B10

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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