SCHEMBL15087366

SCHEMBL15087366

CCCC[C@H](O)[C@@H](C)c1cccc(I)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CSNK1E P49674 1/20 0.34
ADRB2 P07550 3/20 0.33

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
SCHEMBL15051117 0.86 SLC6A2 (0.46) HDAC1HDAC2KDM4ESLC6A2SLC6A4
SCHEMBL15051120 0.86 SLC6A2 (0.46) HDAC1HDAC2KDM4ESLC6A2SLC6A4
SCHEMBL15051119 0.86 SLC6A2 (0.46) HDAC1HDAC2KDM4ESLC6A2SLC6A4
SCHEMBL15051280 0.86 SLC6A2 (0.46) HDAC1HDAC2KDM4ESLC6A2SLC6A4
SCHEMBL15051279 0.86 SLC6A2 (0.46) HDAC1HDAC2KDM4ESLC6A2SLC6A4
SCHEMBL15241690 0.79 CYP3A4 (0.45) HDAC1HDAC2SLC6A2SLC6A4SLC6A3
SCHEMBL8663098 0.78 MAPK1 (0.44) CYP3A4ALDH1A1
SCHEMBL27370690 0.75 CSNK1E (0.53) KDM4EPOLBALDH1A1CSNK1E
SCHEMBL10897018 0.74 CPN1 (0.44) HDAC1HDAC2SLC6A2SLC6A4SLC6A3
SCHEMBL1155059 0.72 MEN1 (0.47) KDM4ESLC6A2SLC6A4SLC6A3CYP3A4

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-2013100566-A1 Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-07-04 WO disclosed