SCHEMBL10458129

SCHEMBL10458129

COCC(C)(Br)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.53
SRC P12931 1/20 0.49
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
AKT1 P31749 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL757100 0.83 CES1 (0.50) CES1SRCTSHRMAPK1HIF1A
SCHEMBL761476 0.83 CES1 (0.50) CES1SRCTSHRMAPK1HIF1A
SCHEMBL9718636 0.81 SRC (0.53) CES1SRCTSHRMAPK1HIF1A
SCHEMBL9559908 0.80 CES1 (0.47) CES1SRCTSHRMAPK1HIF1A
SCHEMBL31290857 0.80 CES1 (0.51) CES1SRCTSHRMAPK1HIF1A
SCHEMBL757431 0.80 CES1 (0.44) CES1SRCTSHRMAPK1HIF1A
SCHEMBL317335 0.80 CES1 (0.44) CES1SRCTSHRMAPK1HIF1A
SCHEMBL7637442 0.79 SRC (0.55) CES1SRCTSHRMAPK1HIF1A
SCHEMBL759753 0.78 CES1 (0.49) CES1SRCTSHRMAPK1HIF1A
SCHEMBL11289136 0.78 CES1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900823-A PHOTOINITIATORS FOR PHOTOCURING CIBA-GEIGY CORPORATION (US) 1990-02-13 US disclosed
US-4739052-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1988-04-19 US disclosed
EP-0117233-B1 COLOURED PHOTO-CURABLE MOULDINGS CIBA-GEIGY AG (CH) 1987-08-26 EP disclosed
US-4559371-A FOR PRINTING INKS AND PAINTS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0117233-A1 Coloured photo-curable mouldings CIBA-GEIGY AG (CH) 1984-08-29 EP disclosed