SCHEMBL11549447

SCHEMBL11549447

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
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
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
MLNR O43193 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL11543025 0.90 NPC1 (0.37) CES1PTPN1SMN1; SMN2POLBLMNA
SCHEMBL11543720 0.88 CES1 (0.40) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11540824 0.86 CES1 (0.51) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11547495 0.85 CES1 (0.40) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11540703 0.82 CES1 (0.38) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11541015 0.75 CES1 (0.43) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11548159 0.74 CES1 (0.47) CES1PTPN1TSHRKIF11
SCHEMBL11545782 0.74 CES1 (0.49) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11544661 0.72 CES1 (0.54) 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 2 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 disclosed
US-4082821-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1978-04-04 US disclosed