SCHEMBL9970809

SCHEMBL9970809

CCNc1ccc(OCCO)c2c1c(C)c(C)n2CCO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
KMT2A Q03164 2/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9974698 0.88 RAB9A (0.37) RAB9ANPC1KMT2AMEN1
SCHEMBL9964956 0.80 RAB9A (0.36) RAB9ANPC1KMT2ATSHR
SCHEMBL9964990 0.70 KDM4E (0.36) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL9970796 0.68 RAB9A (0.35) RAB9ANPC1KMT2A
SCHEMBL8283667 0.67 TDP1 (0.41) RAB9AKMT2ARARARARBRARG
SCHEMBL9964955 0.66 IDO1 (0.33)
SCHEMBL16417513 0.65 THRB (0.47) RAB9ANPC1KMT2AMEN1TSHR
SCHEMBL3873761 0.59 IDO1 (0.38) KMT2AMEN1TDP1
SCHEMBL20462772 0.59 SCD (0.52) RARARARBRARGTSHRTDP1
SCHEMBL9964976 0.59 RAB9A (0.34) RAB9ANPC1KMT2A

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-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed