SCHEMBL11540824

SCHEMBL11540824

CCC(CC)(CP(=O)(O)O)OC(OC(CC)(CC)CP(=O)(O)O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.51
PTPN1 P18031 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
HDAC1 Q13547 1/20 0.33
CTNNB1 P35222 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACP3 P15309 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11548159 0.87 CES1 (0.47) CES1PTPN1TSHR
SCHEMBL11545782 0.87 CES1 (0.49) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11549447 0.86 CES1 (0.41) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11547495 0.85 CES1 (0.40) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11543720 0.85 CES1 (0.40) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11544661 0.83 CES1 (0.54) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11540703 0.82 CES1 (0.38) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11543025 0.78 NPC1 (0.37) CES1PTPN1SMN1; SMN2POLBLMNA
SCHEMBL11541015 0.72 CES1 (0.43) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL9346018 0.72 CES1 (0.47) CES1PTPN1SMN1; SMN2POLBSRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160794-A CURING OR POLYMERIZATION PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1979-07-10 US claimed
US-4160794-A CURING OR POLYMERIZATION PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed
US-4082821-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1978-04-04 US disclosed