SCHEMBL11547495

SCHEMBL11547495

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.40
PTPN1 P18031 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.34
CES2 O00748 2/20 0.34
SRC P12931 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.32
CTNNB1 P35222 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACP3 P15309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL11549447 0.85 CES1 (0.41) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11540824 0.85 CES1 (0.51) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL11543720 0.84 CES1 (0.40) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL868096 0.83 CES1 (0.51) CES1CES2SRCLMNATSHR
SCHEMBL11540703 0.81 CES1 (0.38) CES1PTPN1SMN1; SMN2POLBSRC
SCHEMBL6885914 0.78 CES1 (0.44) CES1PTPN1SMN1; SMN2POLBCES2
SCHEMBL11543025 0.77 NPC1 (0.37) CES1PTPN1SMN1; SMN2POLBCES2
SCHEMBL10456740 0.75 CES1 (0.59) CES1POLBCES2SRCLMNA
SCHEMBL7911425 0.74 CES1 (0.49) CES1CES2SRCLMNACTNNB1
SCHEMBL11548159 0.73 CES1 (0.47) CES1PTPN1CES2TSHR

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