SCHEMBL8947129

SCHEMBL8947129

COC(=O)CNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
ALDH1A1 P00352 1/20 0.68
NPSR1 Q6W5P4 1/20 0.62
GPR139 Q6DWJ6 1/20 0.60
TP53BP1 Q12888 1/20 0.60
MAPK1 P28482 1/20 0.58
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CCR2 P41597 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
P2RX1 P51575 1/20 0.55
LMNA P02545 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
CES2 O00748 1/20 0.54

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
SCHEMBL613062 0.85 POLB (0.67) POLBALDH1A1NPSR1GPR139TP53BP1
SCHEMBL30407428 0.85 POLB (0.67) POLBALDH1A1NPSR1GPR139TP53BP1
SCHEMBL14528906 0.84 GPR139 (0.66) POLBALDH1A1NPSR1GPR139TP53BP1
SCHEMBL16024734 0.84 POLB (0.74) POLBALDH1A1NPSR1TP53BP1TP53
SCHEMBL7641409 0.84 POLB (0.65) POLBALDH1A1NPSR1GPR139TP53BP1
SCHEMBL2855037 0.83 POLB (0.78) POLBALDH1A1NPSR1GPR139TP53BP1
SCHEMBL30739602 0.83 POLB (0.78) POLBALDH1A1NPSR1GPR139TP53BP1
SCHEMBL23014295 0.82 GPR139 (0.64) POLBALDH1A1NPSR1GPR139TP53BP1
SCHEMBL13332107 0.82 POLB (0.63) POLBALDH1A1NPSR1GPR139TP53BP1
SCHEMBL449754 0.82 NPSR1 (0.57) POLBALDH1A1NPSR1TP53BP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed