SCHEMBL9426685

SCHEMBL9426685

CC(=CCOc1ccccc1)CS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KCNA3 P22001 1/20 0.43
AOC3 Q16853 3/20 0.43
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
MAOB P27338 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL7461943 0.81 AOC3 (0.43) KCNA3AOC3LMNAALDH1A1RECQL
SCHEMBL7461946 0.81 AOC3 (0.43) KCNA3AOC3LMNAALDH1A1RECQL
SCHEMBL1135899 0.80 NDUFS8 (0.49) KCNA3AOC3LMNAALDH1A1RECQL
SCHEMBL11289126 0.79 LTA4H (0.41) AOC3LMNAALDH1A1RECQLMTNR1A
SCHEMBL11289133 0.79 LTA4H (0.41) AOC3LMNAALDH1A1RECQLMTNR1A
SCHEMBL7536951 0.77 TRPV1 (0.56) ALDH1A1MTNR1AALOX15L3MBTL1
SCHEMBL11757158 0.77 TRPV1 (0.56) ALDH1A1MTNR1AALOX15L3MBTL1
SCHEMBL11639904 0.77 LTA4H (0.55) AOC3MAOBLTA4H
SCHEMBL11283781 0.76 AOC3 (0.39) KCNA3AOC3LMNAALDH1A1RECQL
SCHEMBL11289830 0.76 AOC3 (0.39) AOC3LMNARECQLMTNR1AMTNR1B

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-5349105-A Skin disorder ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5202471-A Skin disorders ALLERGAN, INC. (US) 1993-04-13 US disclosed