SCHEMBL18159958

SCHEMBL18159958

CCC(CS)CCCCCCS

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.39
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ENPEP Q07075 1/20 0.33
FOLH1 Q04609 1/20 0.32

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
SCHEMBL11834940 0.97 ALDH1A1 (0.37) GSTK1ALDH1A1TDP1LMNACYP3A4
SCHEMBL28101249 0.90 ALDH1A1 (0.39) GSTK1ALDH1A1TDP1LMNACYP3A4
SCHEMBL28101180 0.87 ALDH1A1 (0.40) GSTK1ALDH1A1TDP1LMNACYP3A4
SCHEMBL10868798 0.85 LMNA (0.52) GSTK1ALDH1A1TDP1LMNACYP3A4
SCHEMBL9819401 0.85 LMNA (0.52) GSTK1ALDH1A1TDP1LMNACYP3A4
SCHEMBL28101187 0.85 LMNA (0.52) GSTK1ALDH1A1TDP1LMNACYP3A4
SCHEMBL7755390 0.85 LMNA (0.52) GSTK1ALDH1A1TDP1LMNACYP3A4
SCHEMBL10998500 0.85 LMNA (0.52) GSTK1ALDH1A1TDP1LMNACYP3A4
SCHEMBL1101276 0.84 GSTK1 (0.50) GSTK1LMNAENPEPFOLH1
SCHEMBL7752029 0.83 ALDH1A1 (0.50) ALDH1A1TDP1LMNACYP3A4TSHR

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-9938446-B2 Wellbore service fluid HALLIBURTON ENERGY SERVICES, INC. (US) 2018-04-10 US disclosed
US-20160304763-A1 WELLBORE SERVICE FLUID HALLIBURTON ENERGY SERVICES, INC. 2016-10-20 US disclosed