SCHEMBL6280150

SCHEMBL6280150

C=C(CCCO)C(=O)NCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
EPHX1 P07099 7/20 0.50
PLA2G2A P14555 2/20 0.50
CASP2 P42575 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
PLA2G4A P47712 1/20 0.46
CNR1 P21554 1/20 0.43
EPHX2 P34913 1/20 0.43
ACHE P22303 4/20 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
SCHEMBL7161002 0.91 PLA2G2A (0.59) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL14138655 0.87 CASP2 (0.60) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL545376 0.82 EPHX1 (0.57) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL26598585 0.82 EPHX1 (0.57) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL21766932 0.82 EPHX1 (0.52) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL11766242 0.79 PLA2G2A (0.46) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL15104604 0.79 PLA2G2A (0.57) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL15104686 0.79 PLA2G2A (0.57) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL11234065 0.79 PLA2G2A (0.57) NAAAEPHX1PLA2G2ACASP2ZDHHC20
SCHEMBL11234059 0.79 CASP2 (0.58) NAAAEPHX1PLA2G2ACASP2ZDHHC20

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
US-6878368-B2 Composition for blending to hair treating agents and a hair treating agent SAN-EI KAGAKU CO., LTD. (JP) 2005-04-12 US claimed