SCHEMBL7714560

SCHEMBL7714560

COC(=O)C1=C(C)c2cccc(C)c2CCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.45
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 2/20 0.41
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
RXRA P19793 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7712845 0.83 RXRA (0.43) PARP1PARP10PARP11RXRAKDM4E
SCHEMBL7708962 0.73 PARP1 (0.33) PARP1PARP10PARP11RXRAMAPT
SCHEMBL10932406 0.73 ALDH1A1 (0.52) SLC6A3SLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL7708967 0.72 RXRA (0.34) SLC6A3PARP1PARP10PARP11RXRA
SCHEMBL8636289 0.70 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4
SCHEMBL12602209 0.70 CA12 (0.44) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL14059627 0.70 GAA (0.41) SLC6A3SLC6A2SLC6A4POLB
SCHEMBL14059228 0.70 SLC6A3 (0.40) SLC6A3SLC6A2PARP1PARP10POLB
SCHEMBL9527164 0.69 NOTUM (0.39) PARP1PARP10PARP11RXRAALDH1A1
SCHEMBL9526203 0.69 MYC (0.43) PARP1PARP10PARP11KDM4EALDH1A1

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