SCHEMBL11543720

SCHEMBL11543720

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.40
POLB P06746 4/20 0.37
PTPN1 P18031 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ESRRG P62508 1/20 0.35
SRC P12931 1/20 0.34
PRSS1 P07477 2/20 0.33
CTSG P08311 2/20 0.33
CTRB1 P17538 2/20 0.33
CMA1 P23946 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL11549447 0.88 CES1 (0.41) CES1POLBPTPN1SMN1; SMN2CYP2C19
SCHEMBL11540824 0.85 CES1 (0.51) CES1POLBPTPN1SMN1; SMN2CYP2C19
SCHEMBL11541015 0.85 CES1 (0.43) CES1POLBPTPN1SMN1; SMN2CYP2C19
SCHEMBL11547495 0.84 CES1 (0.40) CES1POLBPTPN1SMN1; SMN2CYP2C19
SCHEMBL11540703 0.81 CES1 (0.38) CES1POLBPTPN1SMN1; SMN2CYP2C19
SCHEMBL11543025 0.79 NPC1 (0.37) CES1POLBPTPN1SMN1; SMN2CYP2C19
SCHEMBL1999101 0.78 CES1 (0.56) CES1CYP2C19SRCTSHRLMNA
SCHEMBL11544661 0.74 CES1 (0.54) CES1POLBPTPN1SMN1; SMN2CYP2C19
SCHEMBL11548159 0.73 CES1 (0.47) CES1PTPN1PRSS1CTSGCTRB1
SCHEMBL11545782 0.73 CES1 (0.49) CES1POLBPTPN1SMN1; SMN2SRC

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