SCHEMBL24851835

SCHEMBL24851835

CC1(c2ccc(Cc3cc4ccccc4[nH]c3=O)cc2)CCC(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.62
▸ KDM4E B2RXH2 11/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HIF1A Q16665 1/20 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
SCHEMBL30162720 1.00 IL4I1 (0.62) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24852649 0.82 IL4I1 (0.63) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24852527 0.77 IL4I1 (1.00) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24852587 0.76 BTK (0.40) IL4I1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL30162402 0.76 BTK (0.40) IL4I1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24852647 0.75 IL4I1 (0.63) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24853032 0.75 IL4I1 (0.91) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24853036 0.74 IL4I1 (0.55) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24851784 0.73 IL4I1 (0.60) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24851822 0.73 IL4I1 (0.56) IL4I1KDM4EALDH1A1HPGDHSD17B10

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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