SCHEMBL11784357

SCHEMBL11784357

CCCCCCCCCCCCCCCCC(CS(=O)(=O)O)OCCC.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
DNM1 Q05193 1/20 0.37
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
SMPD1 P17405 3/20 0.35
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 5/20 0.34
FDPS P14324 3/20 0.34
GPR84 Q9NQS5 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL1483368 0.97 TP53 (0.41) TP53DNM1LPAR1LPAR3SMPD1
SCHEMBL11581244 0.90 TP53 (0.41) TP53DNM1LPAR1LPAR3SMPD1
SCHEMBL11796161 0.88 TP53 (0.46) TP53SMPD1CA1CA2FDPS
SCHEMBL1483864 0.85 TP53 (0.46) TP53SMPD1CA1CA2FDPS
SCHEMBL995593 0.84 DNM1 (0.48) DNM1LPAR1LPAR3CA1CA2
SCHEMBL996196 0.84 DNM1 (0.48) DNM1LPAR1LPAR3CA1CA2
SCHEMBL995509 0.84 DNM1 (0.48) DNM1LPAR1LPAR3CA1CA2
SCHEMBL995955 0.84 DNM1 (0.48) DNM1LPAR1LPAR3CA1CA2
SCHEMBL999453 0.84 DNM1 (0.48) DNM1LPAR1LPAR3CA1CA2
SCHEMBL996264 0.84 DNM1 (0.48) DNM1LPAR1LPAR3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3997692-A Process of coating calcium sulfate dihydrate detergent filler particles LEVER BROTHERS COMPANY (US) 1976-12-14 US disclosed
US-3954649-A Detergent compositions containing coated particulate calcium sulfate dihydrate LEVER BROTHERS COMPANY (US) 1976-05-04 US disclosed