SCHEMBL371378

SCHEMBL371378

CCCCCC(C)SSC(C)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
CA1 P00915 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
DNM1 Q05193 2/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
FDPS P14324 2/20 0.37
ACE2 Q9BYF1 1/20 0.37
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL29250335 0.97 OPRM1 (0.48) OPRM1CA1SPHK1LMNADNM1
SCHEMBL27513413 0.97 OPRM1 (0.48) OPRM1CA1SPHK1LMNADNM1
SCHEMBL27565433 0.97 OPRM1 (0.48) OPRM1CA1SPHK1LMNADNM1
SCHEMBL16710737 0.92 OPRM1 (0.44) OPRM1CA1SPHK1LMNATP53
SCHEMBL13974337 0.91 DNM1 (0.41) OPRM1CA1SPHK1LMNADNM1
SCHEMBL16710780 0.87 OPRM1 (0.44) OPRM1CA1SPHK1LMNATP53
SCHEMBL12598879 0.86 DNM1 (0.38) OPRM1CA1LMNADNM1TSHR
SCHEMBL16710772 0.85 OPRM1 (0.42) OPRM1CA1SPHK1LMNADNM1
SCHEMBL16710731 0.85 OPRM1 (0.42) OPRM1CA1SPHK1LMNATP53
SCHEMBL18078534 0.83 DNM1 (0.36) OPRM1LMNADNM1TSHRFDPS

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
CN-106103665-A Process for removing sulfur compounds from a hydrocarbon-containing stream 巴斯夫欧洲公司 2016-11-09 CN disclosed
EP-1948627-B1 NOVEL DUAL PEPTIDASE INHIBITORS AS PRODRUGS FOR THE THERAPY OF INFLAMMATORY AND OTHER DISORDERS IMTM GMBH (DE) 2012-03-14 EP disclosed