SCHEMBL18078570

SCHEMBL18078570

CCCCCCC(C)SS

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 2/20 0.42
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL18078579 0.97
SCHEMBL777307 0.89
SCHEMBL8164513 0.81 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL10631973 0.81 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL29250335 0.81 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL10631876 0.81 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL1598636 0.81 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL7749124 0.81 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL7628846 0.81 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL10631745 0.81 OPRM1 (0.48) OPRM1SPHK1LMNATSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257961-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS BRADSHAW CURT W (US) 2016-09-08 US disclosed
CN-101253256-B Method for desulfurization of hydrocarbon oil JAPAN ENERGY CORP 2011-11-16 CN disclosed
CN-101253256-A Method for desulfurization of hydrocarbon oil JAPAN ENERGY CORP (JP) 2008-08-27 CN disclosed