SCHEMBL4623637

SCHEMBL4623637

C[C@H](NCCC1CCCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
EPHX1 P07099 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
LTA4H P09960 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.40
METAP2 P50579 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KLK7 P49862 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
SCHEMBL4620611 1.00 BCHE (0.46) BCHEEPHX1SIGMAR1LTA4HMEN1
SCHEMBL4621464 1.00 BCHE (0.46) BCHEEPHX1SIGMAR1LTA4HMEN1
Hydrochloric Acid SCHEMBL3175437 0.98 BCHE (0.45) BCHEEPHX1SIGMAR1LTA4HMEN1
SCHEMBL28668294 0.88 SIGMAR1 (0.50) BCHEEPHX1SIGMAR1LTA4H
SCHEMBL4620196 0.81 LTA4H (0.47) EPHX1LTA4HMEN1KMT2ANPC1
SCHEMBL4620202 0.81 LTA4H (0.47) EPHX1LTA4HMEN1KMT2ANPC1
SCHEMBL4619210 0.81 LTA4H (0.47) EPHX1LTA4HMEN1KMT2ANPC1
SCHEMBL22413014 0.79 LTA4H (0.44) EPHX1SIGMAR1LTA4HMEN1KMT2A
SCHEMBL22413011 0.79 LTA4H (0.44) EPHX1SIGMAR1LTA4HMEN1KMT2A
SCHEMBL14176596 0.78 MEN1 (0.47) BCHEEPHX1SIGMAR1MEN1KMT2A

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
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed