SCHEMBL4748049

SCHEMBL4748049

COc1ccc([K])cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
RARA P10276 3/20 0.51
RARB P10826 3/20 0.51
RARG P13631 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
HSPD1 P10809 1/20 0.51
GOT1 P17174 1/20 0.51
GLRA1 P23415 1/20 0.51
BLM P54132 1/20 0.51
HSPE1 P61604 1/20 0.51
HDAC11 Q96DB2 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4492868 0.94 RARA (0.47) KMT2ARARARARBRARGLMNA
SCHEMBL641031 0.83 RARB (0.67) KMT2ARARARARBRARGLMNA
SCHEMBL6033580 0.83 KMT2A (0.50) KMT2ARARARARBRARGLMNA
SCHEMBL10014917 0.82 RARA (0.52) KMT2ARARARARBRARGLMNA
SCHEMBL8426196 0.81 RARA (0.54) KMT2ARARARARBRARGLMNA
SCHEMBL8424855 0.81 RARA (0.54) KMT2ARARARARBRARGLMNA
SCHEMBL3690279 0.81 KMT2A (0.51) KMT2ARARARARBRARGLMNA
SCHEMBL3690283 0.81 KMT2A (0.51) KMT2ARARARARBRARGLMNA
SCHEMBL8520331 0.81 RARA (0.51) KMT2ARARARARBRARGLMNA
SCHEMBL3690282 0.81 KMT2A (0.51) KMT2ARARARARBRARGLMNA

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-2008126104-A2 NOVEL PROCESS FOR PREPARATION OF ADAPALENE INDOCO REMEDIES LIMITED (IN) 2008-10-23 WO disclosed