SCHEMBL2641869

SCHEMBL2641869

COCOc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
PGK1 P00558 5/20 0.44
PGK2 P07205 5/20 0.44
PTPN1 P18031 2/20 0.44
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38
CDC25A P30304 1/20 0.38
PTPN11 Q06124 1/20 0.38
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37

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
SCHEMBL915764 0.86 ENPP2 (0.45) ENPP2PGK1PGK2PTPN1S1PR2
SCHEMBL13640333 0.84 MMP2 (0.36) PTPN1CYP2C19SMN1; SMN2PTPRCPTPN2
SCHEMBL16301967 0.81 NQO1 (0.54) ENPP2PGK1PGK2PTPN1SMN1; SMN2
SCHEMBL31187555 0.81 KDM4E (0.45) ENPP2PGK1PGK2PTPN1SMN1; SMN2
SCHEMBL915653 0.81 CYP1A2 (0.43) ENPP2PGK1PGK2PTPN1CYP2C19
SCHEMBL915416 0.81 CHEK2 (0.42) ENPP2PGK1PGK2PTPN1S1PR2
SCHEMBL915789 0.81 PTPN1 (0.51) ENPP2PGK1PGK2PTPN1S1PR2
SCHEMBL914654 0.81 ANPEP (0.53) ENPP2PGK1PGK2ANPEPERAP2
SCHEMBL12082470 0.78 CCNT1 (0.40) ALDH1A1MAPT
SCHEMBL7314987 0.78 PGK1 (0.50) ENPP2PGK1PGK2PTPN1CYP2C19

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
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed