SCHEMBL24852579

SCHEMBL24852579

O=c1[nH]c2ccccc2cc1Cc1ccc(C2CCOC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.51
▸ ALDH1A1 P00352 7/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ KDM4E B2RXH2 7/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL24851945 0.82 IL4I1 (0.56) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL24852548 0.81 IL4I1 (0.52) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL24852549 0.81 IL4I1 (0.52) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL24852748 0.81 IL4I1 (0.52) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL24852580 0.79 IL4I1 (0.50) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL30162864 0.79 IL4I1 (0.50) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL24852056 0.79 IL4I1 (0.50) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL24852576 0.79 IL4I1 (0.50) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL24852168 0.77 IL4I1 (0.54) IL4I1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL24852634 0.76 IL4I1 (0.54) IL4I1ALDH1A1TSHRCYP3A4CYP2C9

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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