SCHEMBL17997014

SCHEMBL17997014

Cc1ccc(S(=O)(=O)CCOCCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
KMT2A Q03164 6/20 0.51
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
PAX8 Q06710 1/20 0.45
CTSK P43235 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL5672462 0.93 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL14879973 0.93 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL3198374 0.93 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL16874960 0.93 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL17997021 0.91 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL14638635 0.91 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL232719 0.91 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL14445803 0.91 ALDH1A1 (0.58) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL15709146 0.90 ALDH1A1 (0.53) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL28917214 0.88 ALDH1A1 (0.63) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A

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-9828540-B2 Compositions for treating subterranean formations HALLIBURTON ENERGY SERVICES, INC. (US) 2017-11-28 US disclosed
US-20160230066-A1 COMPOSITIONS FOR TREATING SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. 2016-08-11 US disclosed