SCHEMBL7285607

SCHEMBL7285607

CCC#CCCCCCCC=C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 3/20 0.34
HMGCR P04035 3/20 0.34
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EP300 Q09472 1/20 0.31

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
SCHEMBL7287951 0.79 HMGCR (0.47) PTPN7HMGCRKMT2ARECQLTDP1
SCHEMBL9799605 0.78 RAB9A (0.37) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL31336402 0.76 RAB9A (0.48) PTPN7HMGCRRAB9AKMT2ARECQL
SCHEMBL9208114 0.76 RAB9A (0.36) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL29421491 0.75 HMGCR (0.39) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL7279050 0.74 MAPT (0.40) KMT2A
SCHEMBL8078444 0.74 KMT2A (0.50) KMT2A
SCHEMBL3621240 0.74 RAB9A (0.43) PTPN7HMGCRRAB9AKMT2ARECQL
SCHEMBL2121380 0.73 RAB9A (0.32) PTPN7HMGCRRAB9A
SCHEMBL7638150 0.72 HMGCR (0.39) PTPN7HMGCRRAB9AKMT2ARECQL

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-4782160-A CALCIUM RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 US disclosed
EP-0276552-A1 1,4-dihydropyridine derivatives and their production YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-03 EP disclosed