SCHEMBL7945628

SCHEMBL7945628

OC(CS)C1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.38
ANPEP P15144 1/20 0.35
IDO1 P14902 2/20 0.34
DRD3 P35462 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.32

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
SCHEMBL4666509 0.75 IDO1 (0.41) ANPEPIDO1PNMT
SCHEMBL8699123 0.72 ALDH1A1 (0.37) DRD3
SCHEMBL24890476 0.71 IDO1 (0.43) ANPEPIDO1PNMT
SCHEMBL5724797 0.71 GRM7 (0.41) IDO1DRD3
SCHEMBL28071032 0.71 PRMT5 (0.33) IDO1
SCHEMBL22968842 0.67 HTR2A (0.38) ANPEPIDO1ADRA2A
SCHEMBL1168633 0.67 IDO1 (0.39) ANPEPIDO1
SCHEMBL27518244 0.67 IDO1 (0.39) ANPEPIDO1
SCHEMBL23874539 0.67 IDO1 (0.39) IDO1DRD3
SCHEMBL16595720 0.67 TSHR (0.39) ANPEPIDO1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172109-B1 SIDE EFFECT REDUCTION; ADMINISTERING TOPICALLY ALCON LABORATORIES, INC. 2001-01-09 US disclosed
EP-0968183-A2 13-THIA PROSTAGLANDINS FOR USE IN GLAUCOMA THERAPY ALCON LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998039293-A2 13-THIA PROSTAGLANDINS FOR USE IN GLAUCOMA THERAPY ALCON LABORATORIES, INC. (US) 1998-09-11 WO disclosed