SCHEMBL6653931

SCHEMBL6653931

COC(=O)c1ccccc1[S+](C)c1ccccc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.47
SLC6A3 Q01959 4/20 0.47
MYC P01106 1/20 0.47
SLC6A4 P31645 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL30118160 1.00 TSHR (0.57) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL30118168 0.93 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL31005146 0.89 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL29401812 0.88 TSHR (0.57) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL31005137 0.86 TSHR (0.59) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL3198419 0.86 TSHR (0.59) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL8355188 0.85 KDM4E (0.55) TSHRLMNAALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL34630 0.80 TSHR (0.74) TSHRLMNAALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL29500970 0.80 TSHR (0.74) TSHRLMNAALDH1A1HSD17B10CFTR
Dimethyl Phthalate SCHEMBL790124 0.80 TSHR (0.74) TSHRLMNAALDH1A1HSD17B10CFTR

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
WO-2016060856-A1 DISPERSED CARBON-COATED METAL PARTICLES, ARTICLES AND USES EASTMAN KODAK COMPANY (US) 2016-04-21 WO disclosed
WO-2015134084-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FOR ELECTROLESS PLATING METHODS EASTMAN KODAK COMPANY (US) 2015-09-11 WO disclosed
WO-2014170799-A1 CROSSLINKABLE VARNISH AND METHOD FOR APPLYING SAME COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-10-23 WO disclosed
EP-0931103-B1 MONOMERS, OLIGOMERS AND POLYMERS WITH TERMINAL OXIRANE GROUPS, METHOD OF PREPARATION AND POLYMERISATION UNDER RADIATION EXPOSURE UCB SA (BE) 2004-06-09 EP disclosed
US-6417243-B1 POLYESTERURETHANE BLOCKS UCB, S.A. (BE) 2002-07-09 US disclosed