SCHEMBL16649028

SCHEMBL16649028

CCCCCC(C)(CCCCC)C(N)CC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
FDPS P14324 3/20 0.34
SMPD1 P17405 2/20 0.33
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.32
GGPS1 O95749 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
DNM1 Q05193 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL2332834 0.98 FDPS (0.36) OPRM1FDPSSMPD1TSHRTHRB
Water SCHEMBL18549339 0.98 OPRM1 (0.36) OPRM1FDPSSMPD1TSHRTHRB
Hydrochloric Acid SCHEMBL4386616 0.96 DNM1 (0.37) OPRM1FDPSSMPD1TSHRTHRB
SCHEMBL5353517 0.93 OPRM1 (0.33) OPRM1FDPSCA1CA2ALDH1A1
Water SCHEMBL18549365 0.91 OPRM1 (0.32) OPRM1FDPSCA1CA2ALDH1A1
SCHEMBL16649196 0.84 OPRM1 (0.41) OPRM1FDPSSMPD1SPHK1DNM1
SCHEMBL25605956 0.82
SCHEMBL20844268 0.81 OPRM1 (0.37) OPRM1FDPSSMPD1TSHRTHRB
SCHEMBL23436516 0.80 LMNA (0.42) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL22096924 0.80 LMNA (0.38) OPRM1FDPSSMPD1THRBGGPS1

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
EP-2863452-A1 Battery separation layer comprising a quaternary ammonium fluorinated salt coating material Samsung SDI Co., Ltd. (KR) 2015-04-22 EP claimed
EP-2863452-A1 Battery separation layer comprising a quaternary ammonium fluorinated salt coating material Samsung SDI Co., Ltd. (KR) 2015-04-22 EP disclosed