SCHEMBL10698569

SCHEMBL10698569

CCCCCCCCCCCC(N)NCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
SPHK1 Q9NYA1 2/20 0.45
CYP2D6 P10635 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
LAP3 P28838 2/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42

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
SCHEMBL18315356 1.00 OPRM1 (0.48) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL3647863 0.98 OPRM1 (0.50) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL18315361 0.90
SCHEMBL9691923 0.84 OPRM1 (0.46) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL27296398 0.84 OPRM1 (0.46) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL28161008 0.84 OPRM1 (0.46) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL28542120 0.84 OPRM1 (0.46) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL9163909 0.84 OPRM1 (0.46) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL28985254 0.84 OPRM1 (0.46) OPRM1SPHK1CYP2D6LMNATP53
SCHEMBL27146358 0.84 OPRM1 (0.46) OPRM1SPHK1CYP2D6LMNATP53

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
EP-0275651-A1 Carbon dioxide corrosion inhibiting composition and method of use thereof PETROLITE CORPORATION (US) 1988-07-27 EP disclosed
US-4383090-A HIGH SPEED; COCURING AGENT OF POLYAMIDE-POLYLACTAM COPOLYMER; FILMS; CASTINGS; POTTING; ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1983-05-10 US disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed