SCHEMBL28754359

SCHEMBL28754359

COC(=O)C(CNc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-])OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ AR P10275 1/20 0.38
▸ PELP1 Q8IZL8 1/20 0.38
▸ USP10 Q14694 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HCAR3 P49019 1/20 0.37
▸ GSTP1 P09211 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
SCHEMBL23273557 0.82 ALOX15 (0.42) ALDH1A1MAPTPTGER4KDM4EHPGD
SCHEMBL29738069 0.80 MAPT (0.60) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL23286252 0.80 MAPT (0.60) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL3717593 0.80 ALDH1A1 (0.60) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL29825374 0.78 VCAM1 (0.42) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL31425069 0.78 VCAM1 (0.42) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL30288971 0.78 HCAR3 (0.50) KMT2AALDH1A1MAPTRAB9APKM
SCHEMBL2314605 0.77 MAPT (0.54) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL30550394 0.76 KMT2A (0.50) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL26545880 0.76 KMT2A (0.50) KMT2AALDH1A1MAPTRAB9APTGER4

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
CN-114630823-A GLP-1R modulating compounds 吉利德科学公司 2022-06-14 — — CN disclosed
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