SCHEMBL10752853

SCHEMBL10752853

CC(=O)Nc1cccc(CCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
GFER P55789 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
FFAR1 O14842 2/20 0.56
AOC3 Q16853 1/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
SIRT1 Q96EB6 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
NR4A1 P22736 1/20 0.53
NPC1 O15118 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGA4 P13612 1/20 0.52

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
SCHEMBL15295153 0.91 MEN1 (0.67) MEN1KMT2AITGB3ITGA2BGFER
SCHEMBL5106598 0.89 MEN1 (0.65) MEN1KMT2AITGB3ITGA2BGFER
SCHEMBL10781529 0.89 AOC3 (0.57) MEN1KMT2AGFERNPSR1AOC3
SCHEMBL5353446 0.88 MEN1 (0.63) MEN1KMT2AITGB3ITGA2BGFER
SCHEMBL28053146 0.84 SIRT2 (0.57) MEN1KMT2ANPSR1AOC3GAA
SCHEMBL20852275 0.84 NR1H4 (0.71) MEN1KMT2AITGB3ITGA2BSIRT1
SCHEMBL1948819 0.83 AOC3 (0.58) MEN1KMT2ANPSR1AOC3MAPT
SCHEMBL3976944 0.83 NR1H4 (0.61) MEN1KMT2ANPSR1ALDH1A1CYP1A2
SCHEMBL12017476 0.83 FFAR1 (0.58) ITGB3ITGA2BGFERFFAR1GAA
SCHEMBL1696515 0.83 AOC3 (0.62) MEN1KMT2ANPSR1AOC3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119715740-B Preparation method of biosensor for detecting skatole based on human olfactory receptor OR51S1 中国科学院生态环境研究中心 2025-06-17 CN claimed
CN-119715740-A Preparation method of biosensor for detecting skatole based on human olfactory receptor OR51S1 中国科学院生态环境研究中心 2025-03-28 CN claimed
CN-119715740-B Preparation method of biosensor for detecting skatole based on human olfactory receptor OR51S1 中国科学院生态环境研究中心 2025-06-17 CN disclosed
CN-119715740-A Preparation method of biosensor for detecting skatole based on human olfactory receptor OR51S1 中国科学院生态环境研究中心 2025-03-28 CN disclosed
WO-2012089106-A1 AROMATIC ALKYNE DERIVATIVE AS PROTEIN KINASE INHIBITOR AND MEDICAL USE THEREOF SUN SHUPING (CN) 2012-07-05 WO disclosed
US-4692447-A HYPOTENSIVE, VASODILATOR, ANTITHROMBOTIC, ANTIAGGREGANT, CYTOPROTECTIVE BOEHRINGER BIOCHEMIA ROBIN, S.P.A. (IT) 1987-09-08 US disclosed
EP-0169443-A2 Tricyclic dihydropyridazinones and pharmaceutical compositions contaning them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-01-29 EP disclosed