SCHEMBL14392002

SCHEMBL14392002

COC(=O)CCCc1cc(C)c(Oc2ccc(N)cc2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38
PCNA P12004 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL3142103 0.86 THRB (0.44) HDAC8ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL14553379 0.81 F2RL1 (0.49) ALDH1A1MAPTHSD17B10KMT2ALMNA
SCHEMBL8579599 0.79 SKP2 (0.50) ALDH1A1MAPTKMT2AHTTHPGD
SCHEMBL9861891 0.79 TSHR (0.45) ALDH1A1MAPTKMT2AHPGDEPHX2
SCHEMBL1351101 0.79 TSHR (0.48) EPHX2CYP19A1
SCHEMBL14629174 0.79 THRA (0.36) HDAC8ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL8578501 0.78 SKP2 (0.45) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3131477 0.78 THRB (0.48) ALDH1A1MAPTHSD17B10KMT2ALMNA
SCHEMBL3911709 0.78 THRB (0.48) ALDH1A1MAPTHSD17B10KMT2ALMNA
Hydrochloric Acid SCHEMBL1789073 0.77 MAOB (0.47) EPHX2CYP19A1

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-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO disclosed