SCHEMBL3174147

SCHEMBL3174147

CC(S)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ACP3 P15309 2/20 0.43
CYP17A1 P05093 2/20 0.43
GRIA4 P48058 1/20 0.42

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
SCHEMBL664500 0.84
SCHEMBL184638 0.84
SCHEMBL664987 0.84
Methane SCHEMBL28284778 0.81 TAAR1 (0.44)
Bromide SCHEMBL6735763 0.81 TAAR1 (0.44)
Biphenyl SCHEMBL11779724 0.81 ALDH1A1 (0.60) PTGS2ALDH1A1
SCHEMBL332099 0.81 ESR1 (0.38)
SCHEMBL40528 0.79 PTGS2 (0.58) PTGS2CHRNB2CHRNA4ALDH1A1ACP3
SCHEMBL5464381 0.79 PTGS2 (0.58) PTGS2CHRNB2CHRNA4ALDH1A1ACP3
SCHEMBL20833031 0.79 PTGS2 (0.58) PTGS2CHRNB2CHRNA4ALDH1A1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220238833-A1 ORGANIC LIGHT-EMITTING DIODES WITH FLUORESCENT AND PHOSPHORESCENT EMITTERS UNIV ARIZONA STATE (US) 2022-07-28 US disclosed
EP-1341534-B1 COMPOUNDS HAVING FUNGICIDAL ACTIVITY AND PROCESSES TO MAKE AND USE SAME DOW AGROSCIENCES LLC (US) 2010-03-31 EP disclosed