SCHEMBL8401151

SCHEMBL8401151

COc1ccc(CC(=O)n2cncc(NC(=O)OCc3ccccc3)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
TACR3 P29371 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
ATM Q13315 1/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
MIF P14174 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7297137 0.92 NPC1 (0.48) ELANERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8405741 0.90 TRPV1 (0.48) ELANERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8403664 0.88 SCD (0.48) ELANERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7292947 0.88 ELANE (0.45) ELANERAB9ANPC1SMN1; SMN2POLB
SCHEMBL8401233 0.88 POLB (0.53) ELANERAB9ANPC1POLBCASP3
SCHEMBL8401497 0.85 NPC1 (0.47) ELANERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7294413 0.85 NAMPT (0.47) ELANERAB9ANPC1ALDH1A1MAPT
SCHEMBL8405850 0.85 ELANE (0.47) ELANERAB9ANPC1ATMALDH1A1
SCHEMBL8405275 0.83 NPC1 (0.53) ELANERAB9ANPC1ALDH1A1MAPT
SCHEMBL8403691 0.82 ELANE (0.43) ELANETACR3RAB9ANPC1ALDH1A1

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-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed