SCHEMBL9974698

SCHEMBL9974698

CNc1ccc(OCCO)c2c1c(C)c(C)n2CCO

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL9970809 0.88 RAB9A (0.35) RAB9ANPC1KMT2AMEN1
SCHEMBL9964956 0.82 RAB9A (0.36) RAB9ANPC1KMT2AIDO1
SCHEMBL9970796 0.77 RAB9A (0.35) RAB9ANPC1KMT2A
SCHEMBL9964990 0.72 KDM4E (0.36) RAB9ANPC1KMT2AMEN1
SCHEMBL9964955 0.68 IDO1 (0.33) IDO1
SCHEMBL27677934 0.65 HTR1B (0.47) IDO1
SCHEMBL7238647 0.62 IDO1 (0.35) KMT2AMEN1IDO1
SCHEMBL17364544 0.62 KDM4E (0.37) KMT2AMEN1
SCHEMBL22333901 0.61 GAA (0.44) KMT2AMEN1IDO1
SCHEMBL8097752 0.61 TUBB1 (0.43) KMT2AMEN1IDO1

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
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed