SCHEMBL9705598

SCHEMBL9705598

ClCc1ccc(SCCCCCCSc2ccc(CCl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CA2 P00918 4/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
SLC2A1 P11166 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL11069697 0.82 MAOA (0.48) HDAC1MAOAMAOBCA2ALDH1A1
SCHEMBL9705553 0.77 TTR (0.43) CA2ALDH1A1
SCHEMBL10365202 0.77 CA2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9503534 0.77 MAOA (0.50) MAOAMAOBALDH1A1KDM4ESLC2A1
SCHEMBL5170523 0.74 MAOA (0.52) MAOAMAOBCA2ALDH1A1KDM4E
SCHEMBL1391150 0.74 SLC6A4 (0.53) MAOAMAOBCA2ALDH1A1MEN1
SCHEMBL8388307 0.74 DRD2 (0.55) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL7414719 0.73 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10483962 0.72 DRD2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3164479 0.72 NR1H2 (0.41) MAOAMAOBCA2MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP claimed
EP-0228803-A2 Ionene elastomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-07-15 EP claimed
US-4677182-A COATINGS, ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1987-06-30 US claimed
EP-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP disclosed
US-4794031-A POLYMERIC DIAMINES, DIHALIDE LINKING AGENTS, POLYETHERS, ACRYLIC COPOLYMERS, ENCAPPING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-27 US disclosed
US-4734458-A QUATERNIZED POLYAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-03-29 US disclosed
EP-0228803-A2 Ionene elastomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-07-15 EP disclosed
US-4677182-A COATINGS, ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1987-06-30 US disclosed