SCHEMBL8719065

SCHEMBL8719065

CC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
PNMT P11086 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRB3 P13945 6/20 0.38
ADRB1 P08588 6/20 0.38
ADRB2 P07550 4/20 0.38
SLC2A1 P11166 1/20 0.38
AOC3 Q16853 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL8719067 1.00 HDAC8 (0.43) HDAC8PNMTSLC6A2SLC6A4SLC6A3
SCHEMBL8716621 0.88 ADRB3 (0.40) HDAC8PNMTMEN1CYP1A2CYP3A4
SCHEMBL8713650 0.88 SLC6A2 (0.39) HDAC8SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8713648 0.88 SLC6A2 (0.39) HDAC8SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8716623 0.88 ADRB3 (0.40) HDAC8PNMTMEN1CYP1A2CYP3A4
SCHEMBL8713658 0.88 LMNA (0.47) HDAC8PNMTSLC6A2SLC6A4SLC6A3
SCHEMBL8713656 0.88 LMNA (0.47) HDAC8PNMTSLC6A2SLC6A4SLC6A3
SCHEMBL8718273 0.85 SLC6A4 (0.44) PNMTSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL8718271 0.85 SLC6A4 (0.44) PNMTSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL8720148 0.85 ADRB3 (0.44) PNMTMEN1KMT2AADRB3ADRB1

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
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed