SCHEMBL7597498

SCHEMBL7597498

CCC(C)C.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LAP3 P28838 3/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
ANPEP P15144 3/20 0.32
ERAP1 Q9NZ08 1/20 0.32
ALPG P10696 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL7616198 1.00 TSHR (0.41) TSHRLAP3CA12CA1CA2
Isobutane SCHEMBL27082315 0.97 TSHR (0.39) TSHRLAP3CA12CA1CA2
SCHEMBL9182978 0.97 TSHR (0.39) TSHRLAP3CA12CA1CA2
Ammonia Solution, Strong SCHEMBL10937835 0.97 TSHR (0.39) TSHRLAP3CA12CA1CA2
SCHEMBL1914111 0.97 TSHR (0.39) TSHRLAP3CA12CA1CA2
SCHEMBL2035248 0.97 TSHR (0.39) TSHRLAP3CA12CA1CA2
Isobutane SCHEMBL1395620 0.94 TSHR (0.37) TSHRLAP3CA12CA1CA2
Butane SCHEMBL17765810 0.91 TSHR (0.35) TSHRLAP3MMP1MMP2MMP3
SCHEMBL8812783 0.83 TSHR (0.39) TSHRLAP3MMP1MMP2MMP3
Isobutane SCHEMBL11753394 0.81 TSHR (0.35) TSHRLAP3ALPG

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-0748862-B1 Lubricating compositions, functional fluids and greases containing thiophosphorus esters or their salts with an oxyalkylene group, and methods of using the same LUBRIZOL CORP (US) 2002-11-06 EP disclosed
US-5968880-A OIL CONTAINING METAL-FREE ANTIWEAR AGENT/RUST INHIBITOR; EXTREME PRESSURE LUBRICANTS THE LUBRIZOL CORPORATION (US) 1999-10-19 US disclosed
US-5622923-A HAVING IMPROVED ANTIWEAR, EXTREME PRESSURE, ANTIOXIDANT, RUST INHIBITOR PROPERTIES THE LUBRIZOL CORPORATION (US) 1997-04-22 US disclosed
EP-0748862-A2 Lubricating compositions, functional fluids and greases containing thiophosphorus esters or their salts with an oxyalkylene group, and methods of using the same The Lubrizol Corporation (an Ohio corporation) (US) 1996-12-18 EP disclosed