SCHEMBL8630366

SCHEMBL8630366

CCCCCCCCCCCCCCCCCC(N)c1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.57
CA2 P00918 2/20 0.44
OPRM1 P35372 1/20 0.39
CSNK1E P49674 1/20 0.38
SPHK1 Q9NYA1 2/20 0.37
CYP2D6 P10635 2/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35

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
SCHEMBL27528445 1.00 SLC2A1 (0.57) SLC2A1CA2OPRM1CSNK1ESPHK1
SCHEMBL28741672 1.00 SLC2A1 (0.57) SLC2A1CA2OPRM1CSNK1ESPHK1
SCHEMBL15709694 0.92 SLC2A1 (0.47) SLC2A1CA2OPRM1CSNK1E
SCHEMBL27511254 0.84 SLC2A1 (0.39) SLC2A1CA2
SCHEMBL28381908 0.83 SLC2A1 (0.39) SLC2A1CA2LMNABLMHTR2A
Water SCHEMBL9062617 0.83 SLC2A1 (0.58) SLC2A1CA2OPRM1CSNK1EHTR2A
Water SCHEMBL28159332 0.83 SLC2A1 (0.58) SLC2A1CA2OPRM1CSNK1EHTR2A
SCHEMBL21753852 0.81 SLC2A1 (0.38) SLC2A1SPHK1
SCHEMBL10357844 0.81 NR1I2 (0.46) SLC2A1OPRM1CSNK1ELMNANR1I2
SCHEMBL982650 0.81 NR1I2 (0.46) SLC2A1OPRM1CSNK1ELMNANR1I2

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-0929557-A2 (o-ACYL-p-N-ACYLAMINO-PHENYL)-O-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 1999-07-21 EP disclosed
WO-1998014454-A2 (o-ACYL-p-N-ACYLAMINO-PHENYL)-O-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 1998-04-09 WO disclosed