SCHEMBL9445936

SCHEMBL9445936

CCC(CC)(c1cccc(CBr)c1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.45
PGK2 P07205 4/20 0.45
ACP3 P15309 1/20 0.43
PTPN5 P54829 7/20 0.38
PTPN1 P18031 2/20 0.37
GGPS1 O95749 3/20 0.35
FDPS P14324 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL3390400 0.85 PGK1 (0.52) PGK1PGK2ACP3PTPN5PTPN1
SCHEMBL9445969 0.82 TAAR1 (0.51) PGK1PGK2ACP3
SCHEMBL1362338 0.81 MEN1 (0.41) PGK1PGK2PTPN5PTPN1CYP1A2
SCHEMBL9445996 0.81 PGK1 (0.42) PGK1PGK2ACP3PTPN5PTPN1
SCHEMBL9445920 0.80 PTPN1 (0.39) PGK1PGK2PTPN1FDPS
SCHEMBL9343945 0.79 PTPN5 (0.46) PGK1PGK2PTPN5PTPN1GGPS1
SCHEMBL2031911 0.78 TSHR (0.43) PGK1PGK2PTPN5PTPN1FDPS
SCHEMBL1338013 0.78 PGK1 (0.44) PGK1PGK2ACP3PTPN5GGPS1
SCHEMBL29024551 0.78 PGK1 (0.53) PGK1PGK2ACP3PTPN5PTPN1
SCHEMBL27887459 0.78 PGK1 (0.41) PGK1PGK2ACP3PTPN5PTPN1

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-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 US disclosed