SCHEMBL7712845

SCHEMBL7712845

CC1=C(C(=O)O)CCCc2c(C)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 2/20 0.42
PARP11 Q9NR21 1/20 0.42
MYC P01106 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACHE P22303 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
DHODH Q02127 3/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL9526203 0.83 MYC (0.43) PARP1PARP10PARP11MYCCA1
SCHEMBL7714560 0.83 SLC6A3 (0.45) RXRAPARP1PARP10PARP11ALDH1A1
Hydrochloric Acid SCHEMBL9526664 0.81 MYC (0.42) RXRAPARP1PARP10PARP11MYC
SCHEMBL7708928 0.78 CYP2A6 (0.52) NOTUMALDH1A1KDM4EHPGD
SCHEMBL1151194 0.74 PARP1 (0.55) PARP1PARP10PARP11KDM4EACHE
SCHEMBL29501042 0.74 PARP1 (0.55) PARP1PARP10PARP11KDM4EACHE
SCHEMBL7708962 0.74 PARP1 (0.33) RXRAPARP1PARP10PARP11PARP15
SCHEMBL9527164 0.72 NOTUM (0.39) RXRAPARP1PARP10PARP11MYC
SCHEMBL7708967 0.72 RXRA (0.34) RXRAPARP1PARP10PARP11KDM4E
SCHEMBL9526658 0.71 TYR (0.39) RXRAPARP1PARP10PARP11MYC

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-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed