SCHEMBL9111497

SCHEMBL9111497

CC(=O)CNc1ccc(CCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.49
CYP4A11 Q02928 4/20 0.49
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
FFAR1 O14842 2/20 0.41
ACACB O00763 1/20 0.41
PPARA Q07869 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL10952623 0.83 FFAR1 (0.49) CYP4F2CYP4A11CA2FFAR1FFAR4
SCHEMBL7471913 0.81 ALDH1A1 (0.52) CA2CA1POLBTDP1CA12
SCHEMBL22223520 0.80 CA2 (0.52) CYP4F2CYP4A11CA2CA1FFAR1
SCHEMBL7103590 0.78 CYP4F2 (0.64) CYP4F2CYP4A11CA2CA1POLB
SCHEMBL2942940 0.77 CYP4F2 (0.41) CYP4F2CYP4A11CA2CA1HRH3
SCHEMBL6170098 0.77 CA12 (0.59) CYP4F2CYP4A11CA2CA1POLB
SCHEMBL6629816 0.77 SMN1; SMN2 (0.57) CYP4F2CYP4A11CA2CA1POLB
SCHEMBL11983728 0.76 POLB (0.71) CYP4F2CYP4A11CA2CA1POLB
SCHEMBL11193647 0.76 TDP1 (0.39) CA2CA1POLBHRH3FFAR1
SCHEMBL9419326 0.76 MAPT (0.54) CA2CA1POLBFFAR1TDP1

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
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed