SCHEMBL6130372

SCHEMBL6130372

CC(C)(C)[C@H]1CC[C@@H](C)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.37
LIPA P38571 1/20 0.34
GLA P06280 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6130349 1.00 TSHR (0.37) TSHRNPSR1EPHX1LIPAGLA
SCHEMBL61662 1.00 TSHR (0.37) TSHRNPSR1EPHX1LIPAGLA
Bromide SCHEMBL11028367 0.97 TSHR (0.36) TSHRNPSR1EPHX1LIPAGLA
Bromide SCHEMBL11201644 0.97 TSHR (0.36) TSHRNPSR1EPHX1LIPAGLA
SCHEMBL2452572 0.87 LIPA (0.33) TSHRNPSR1EPHX1LIPA
SCHEMBL5615220 0.86 EPHX1 (0.42) EPHX1LIPAGLAEPHX2HSD11B1
SCHEMBL5270433 0.86
SCHEMBL22797 0.86
SCHEMBL999461 0.84 EPHX1 (0.42) TSHRNPSR1EPHX1GLAEPHX2
SCHEMBL16411438 0.81 L3MBTL1 (0.33) EPHX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409614-A4 CONTINUOUS PROCESS FOR OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND AND PRODUCTS THEREOF SULPHCO INC (US) 2005-02-09 EP disclosed
EP-1409614-A1 CONTINUOUS PROCESS FOR OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND AND PRODUCTS THEREOF Sulphco, Inc. (US) 2004-04-21 EP disclosed
US-6500219-B1 COMBINING SULFIDE-CONTAINING DIESEL FUEL HAVING CETANE INDEX OF GREATER THAN 50.0 WITH AQUEOUS FLUID AND HYDROPEROXIDE AND ALIPHATIC C15-C20 HYDROCARBON, USING ULTRASOUND TO CAUSE OXIDATION OF SULFIDES SULPHCO, INC. 2002-12-31 US disclosed
WO-2002074884-A1 CONTINUOUS PROCESS FOR OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND AND PRODUCTS THEREOF SULPHCO, INC. (US) 2002-09-26 WO disclosed