SCHEMBL11230762

SCHEMBL11230762

CCCCCCCCCCCCC(N)CCOCCC(N)CCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR4 O95977 4/20 0.50
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50
OPRM1 P35372 1/20 0.46
SPHK1 Q9NYA1 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL28010904 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL11231054 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL9177119 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL3451340 0.96 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL6262669 0.96 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL775435 0.96 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL6259967 0.96 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL7790055 0.91 HTT (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL16986479 0.89 CYP3A4 (0.46) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL28846664 0.86 CYP3A4 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B

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
US-4352913-A EPOXY RESIN CURING AGENTS CIBA-GEIGY CORPORATION (US) 1982-10-05 US disclosed
US-4324739-A CURING AGENTS FOR POLYEPOXIDES CIBA-GEIGY CORPORATION (US) 1982-04-13 US disclosed