SCHEMBL11328429

SCHEMBL11328429

COc1cc(C(=O)N(CCCC(=O)O)c2cccc3ccccc23)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
RAD52 P43351 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
CTSD P07339 1/20 0.38
LTC4S Q16873 2/20 0.38
POLB P06746 2/20 0.38
F2 P00734 2/20 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
SCHEMBL11323696 0.88 CTSD (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11320377 0.84 LMNA (0.43) TP53RAD52SMN1; SMN2TSHRALDH1A1
SCHEMBL11295764 0.79 PPARG (0.43) PPARGPPARASMN1; SMN2HTTPOLB
SCHEMBL11320533 0.79 TSHR (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11320422 0.78 SMN1; SMN2 (0.43) PPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL11337953 0.77 KMT2A (0.45) TSHRALDH1A1HSD17B10POLBHPGD
SCHEMBL11292002 0.77 BACE1 (0.42) SMN1; SMN2TSHRHTTLMNA
SCHEMBL11291339 0.76 HTT (0.48) RAD52ALDH1A1HSD17B10HTTLTC4S
SCHEMBL11298142 0.76 SMN1; SMN2 (0.43) PPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL11326794 0.76 CNR2 (0.45)

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
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US disclosed