SCHEMBL31425069

SCHEMBL31425069

COC(=O)c1ccc([N+](=O)[O-])c(NCC(CNC(=O)OC(C)(C)C)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ AR P10275 1/20 0.41
▸ PELP1 Q8IZL8 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ USP10 Q14694 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37

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
SCHEMBL29825374 1.00 VCAM1 (0.42) VCAM1ALDH1A1PKMLMNAAR
SCHEMBL1062316 0.84 MAPT (0.47) VCAM1ALDH1A1PKMLMNAAR
SCHEMBL23286842 0.83 LNPEP (0.43) ALDH1A1HPGDNPSR1SERPINE1MAPT
SCHEMBL1979111 0.82 ALDH1A1 (0.47) VCAM1ALDH1A1PKMLMNAKMT2A
SCHEMBL29155054 0.82 BRD4 (0.48) VCAM1ALDH1A1PKMLMNAHTT
SCHEMBL30163681 0.82 BRD4 (0.48) VCAM1ALDH1A1PKMLMNAHTT
SCHEMBL28754359 0.78 KMT2A (0.42) VCAM1ALDH1A1PKMLMNAAR
SCHEMBL30550394 0.78 KMT2A (0.50) VCAM1ALDH1A1PKMLMNAAR
SCHEMBL26545880 0.78 KMT2A (0.50) VCAM1ALDH1A1PKMLMNAAR
SCHEMBL1528372 0.78 AR (0.55) VCAM1ALDH1A1PKMLMNAAR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874674-A GLP-1R modulating compounds 吉利德科学公司 2025-04-25 — — CN disclosed
CN-114630823-B GLP-1R Modulating Compounds 吉利德科学公司 2025-01-28 — — CN disclosed
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