SCHEMBL6897015

SCHEMBL6897015

CCCCCCCCCCCCCCCCC(NC)C(C)N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.52
OPRM1 P35372 1/20 0.50
TP53 P04637 2/20 0.41
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
CYP2D6 P10635 2/20 0.39
LMNA P02545 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL6895292 1.00 SPHK1 (0.52) SPHK1OPRM1TP53S1PR2S1PR1
SCHEMBL11299774 0.82 OPRM1 (0.42) SPHK1OPRM1LMNAADH1BADH1C
SCHEMBL6895295 0.80 OPRM1 (0.41) SPHK1OPRM1LMNAADH1BADH1C
SCHEMBL6892670 0.80 OPRM1 (0.41) SPHK1OPRM1LMNAADH1BADH1C
SCHEMBL24394272 0.79 OPRM1 (0.44) SPHK1OPRM1TP53LMNAADH1B
SCHEMBL24409398 0.79 OPRM1 (0.44) SPHK1OPRM1TP53LMNAADH1B
SCHEMBL20847647 0.78 OPRM1 (0.44) SPHK1OPRM1TP53S1PR2S1PR1
SCHEMBL21143019 0.78 DNM1 (0.41) SPHK1OPRM1S1PR2S1PR1S1PR3
SCHEMBL18620875 0.78 SPHK1 (0.47) SPHK1OPRM1TP53CYP2D6LMNA
SCHEMBL19200976 0.77 ADH1B (0.38) SPHK1OPRM1S1PR2S1PR1S1PR3

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
EP-0886551-B1 STABILITY CONTROL AGENT COMPOSITION FOR POLYOLEFIN FOAM KNAUS DENNIS A (US) 2004-08-04 EP claimed