SCHEMBL11541015

SCHEMBL11541015

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
PTPN1 P18031 3/20 0.39
ESRRG P62508 1/20 0.37
POLB P06746 4/20 0.36
SRC P12931 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11544661 0.86 CES1 (0.54) CES1PTPN1ESRRGPOLBSRC
SCHEMBL11543720 0.85 CES1 (0.40) CES1PTPN1ESRRGPOLBSRC
SCHEMBL1999101 0.81 CES1 (0.56) CES1SRCCYP2C19HIF1ATSHR
SCHEMBL11549447 0.75 CES1 (0.41) CES1PTPN1POLBSRCCYP2C19
SCHEMBL11544295 0.73 CES1 (0.49) CES1PTPN1POLBSRCCYP2C19
SCHEMBL11746305 0.73 CES1 (0.55) CES1POLBSRCCYP2C19HIF1A
SCHEMBL1487886 0.73 CES1 (0.65) CES1SRCCYP2C19HIF1ATSHR
SCHEMBL11540824 0.72 CES1 (0.51) CES1PTPN1POLBSRCCYP2C19
SCHEMBL13148475 0.72 CES1 (0.50) CES1ESRRGSRCCYP2C19HIF1A
SCHEMBL2842170 0.72 CES1 (0.53) CES1ESRRGPOLBSRCCYP2C19

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