SCHEMBL11289136

SCHEMBL11289136

COCC(COC)(OC)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.53
SRC P12931 1/20 0.49
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
AKT1 P31749 1/20 0.42
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
CES2 O00748 3/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL28581432 0.81 CES1 (0.53) CES1SRCTSHRMAPK1HIF1A
SCHEMBL31290857 0.80 CES1 (0.51) CES1SRCTSHRMAPK1HIF1A
SCHEMBL7197622 0.80 CES1 (0.47) CES1SRCTSHRMAPK1AKT1
SCHEMBL7637442 0.79 SRC (0.55) CES1SRCTSHRMAPK1HIF1A
SCHEMBL757100 0.79 CES1 (0.50) CES1SRCTSHRMAPK1HIF1A
SCHEMBL761476 0.79 CES1 (0.50) CES1SRCTSHRMAPK1HIF1A
SCHEMBL7201864 0.79 CES1 (0.50) CES1SRCTSHRMAPK1HIF1A
SCHEMBL10458129 0.78 CES1 (0.53) CES1SRCTSHRMAPK1HIF1A
SCHEMBL759753 0.78 CES1 (0.49) CES1SRCTSHRMAPK1HIF1A
SCHEMBL9718636 0.78 SRC (0.53) CES1SRCTSHRMAPK1HIF1A

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-4351708-A A COCATALYST MIXTURE OF AN AROMATIC IODONIUM SALT, AN AROMATIC CARBONYL PHOTOINITIATOR AND A FREE RADICAL CATALYST CIBA-GEIGY CORPORATION (US) 1982-09-28 US disclosed
EP-0007468-B1 COMPOSITIONS PHOTODURCISSABLES CIBA-GEIGY AG (CH) 1982-04-07 EP disclosed
US-4284485-A STABILIZED WITH A POLYALKYLPIPERIDINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed