SCHEMBL8582012

SCHEMBL8582012

NC1c2ccccc2CC1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.41
SLC6A11 P48066 3/20 0.41
SLC6A13 Q9NSD5 3/20 0.41
SIGMAR1 Q99720 2/20 0.39
KDM1A O60341 4/20 0.39
PYGL P06737 6/20 0.37
EGFR P00533 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
SCHEMBL11287585 0.81 TSHR (0.49) PYGLEGFR
SCHEMBL11287590 0.81 TSHR (0.49) PYGLEGFR
SCHEMBL11291868 0.81 TSHR (0.49) PYGLEGFR
SCHEMBL15018216 0.79 KDM1A (0.41) SIGMAR1KDM1A
SCHEMBL15036590 0.79 KDM1A (0.41) SIGMAR1KDM1A
SCHEMBL18766100 0.79 KDM1A (0.43) SIGMAR1KDM1A
SCHEMBL15036547 0.79 KDM1A (0.43) SIGMAR1KDM1A
SCHEMBL20720128 0.79 KDM1A (0.43) SIGMAR1KDM1A
SCHEMBL8296922 0.78 PYGL (0.41) PYGL
SCHEMBL7736693 0.77 GRM2 (0.37) SIGMAR1PYGL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673288-A1 PEPTIDE FOR USE IN THE TREATMENT OF SKIN CONDITIONS Organo Balance GmbH (DE) 2013-12-18 EP claimed
WO-2012107244-A1 PEPTIDE FOR USE IN THE TREATMENT OF SKIN CONDITIONS ORGANOBALANCE GMBH (DE) 2012-08-16 WO claimed
US-5801274-A N- mercaptoacyl(amino acid or peptide)! compounds and S-lipophilic aliphatic carbonyl derivatives thereof as antihypertensives INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-09-01 US disclosed
US-5591891-A PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-01-07 US disclosed
WO-1994017036-A1 S-LIPOPHILIC ALIPHATIC CARBONYL [N-MERCAPTOACYL-(AMINO ACID OR PEPTIDE)] COMPOUNDS AS ANTIHYPERTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-04 WO disclosed