SCHEMBL12371168

SCHEMBL12371168

O=C(CS)Sc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
FFAR1 O14842 1/20 0.45
MAPK1 P28482 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL23352599 0.83 ALDH1A1 (0.46) ALDH1A1FFAR1HDAC3HDAC4HDAC1
SCHEMBL3083874 0.81 ALDH1A1 (0.52) ALDH1A1FFAR1MAPK1HDAC3HDAC4
SCHEMBL24523122 0.81 FFAR1 (0.48) ALDH1A1FFAR1MAPK1HDAC3HDAC4
SCHEMBL4102385 0.79 FFAR1 (0.46) ALDH1A1FFAR1MAPK1HDAC3HDAC4
SCHEMBL4800015 0.79 FFAR1 (0.46) ALDH1A1FFAR1MAPK1HDAC3HDAC4
SCHEMBL21249722 0.79 ALDH1A1 (0.50) ALDH1A1FFAR1MAPK1HDAC3HDAC4
SCHEMBL19266211 0.77 FFAR1 (0.45) ALDH1A1FFAR1MAPK1HDAC3HDAC4
SCHEMBL14009875 0.77 PTPN1 (0.46) ALDH1A1FFAR1MAPK1HDAC3HDAC4
SCHEMBL6194889 0.77 ALDH1A1 (0.46) ALDH1A1FFAR1MAPK1HDAC3HDAC4
SCHEMBL26939348 0.77 FFAR1 (0.50) ALDH1A1FFAR1MAPK1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7993879-B2 Fluorescent protein sensors for detection of analytes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-09 US disclosed