SCHEMBL27460417

SCHEMBL27460417

CCCCCC(CC)C(C)Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
CA1 P00915 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
DNM1 Q05193 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
FDPS P14324 1/20 0.33
GPR84 Q9NQS5 2/20 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
SCHEMBL24581697 0.87 OPRM1 (0.46) OPRM1SPHK1LMNADNM1ADH1B
Ammonia Solution, Strong SCHEMBL9800128 0.85 OPRM1 (0.44) OPRM1SPHK1LMNADNM1ADH1B
SCHEMBL21203513 0.81 OPRM1 (0.41) OPRM1CA1SPHK1LMNATP53
SCHEMBL9211114 0.79 OPRM1 (0.48) OPRM1CA1SPHK1LMNATP53
SCHEMBL28264637 0.78 TSHR (0.50) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL28399942 0.78 TSHR (0.50) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL28846487 0.78 TSHR (0.50) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL11816917 0.78 OPRM1 (0.46) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL11098928 0.78 OPRM1 (0.38) OPRM1CA1SPHK1LMNADNM1
SCHEMBL11491167 0.77 OPRM1 (0.46) OPRM1CA1SPHK1LMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143379-A Crosslinked polymeric ammonium salts DU PONT (US) 1997-02-19 CN claimed