SCHEMBL9803889

SCHEMBL9803889

O=C1NC(=O)C(Cc2ccc(OCCOc3ncccn3)cc2)S1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.64
FFAR1 O14842 7/20 0.64
PPARA Q07869 2/20 0.60
CYP3A4 P08684 2/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58
RXRA P19793 2/20 0.57
RARG P13631 1/20 0.57
MPC2 O95563 1/20 0.56
CYP2C8 P10632 1/20 0.56

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
SCHEMBL1072226 0.87 FFAR1 (0.77) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL9803937 0.86 PPARG (0.67) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL9570670 0.85 FFAR1 (0.71) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL8957444 0.84 FFAR1 (0.69) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL9570560 0.84 FFAR1 (0.69) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL9570653 0.84 FFAR1 (0.69) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL9570853 0.84 FFAR1 (0.69) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL9570574 0.84 FFAR1 (0.69) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL9570566 0.84 FFAR1 (0.69) PPARGFFAR1PPARACYP3A4MAPT
SCHEMBL9570697 0.84 FFAR1 (0.69) PPARGFFAR1PPARACYP3A4MAPT

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
US-5075300-A Hypoglycemic and antilipemic agents BEECHAM GROUP P.L.C. (GB) 1991-12-24 US claimed
US-5075300-A Hypoglycemic and antilipemic agents BEECHAM GROUP P.L.C. (GB) 1991-12-24 US disclosed