SCHEMBL28052922

SCHEMBL28052922

CC(C)CCc1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1CCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
DHODH Q02127 1/20 0.33
HDAC3 O15379 4/20 0.32
HDAC4 P56524 4/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC7 Q8WUI4 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC10 Q969S8 4/20 0.32
HDAC11 Q96DB2 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC9 Q9UKV0 4/20 0.32
HDAC5 Q9UQL6 4/20 0.32
GCGR P47871 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL11326005 0.81 CYP1A2 (0.38) DHODHGCGRCYP1A2
Ammonia Solution, Strong SCHEMBL23749161 0.79 CYP1A2 (0.38) DHODHGCGRCYP1A2
SCHEMBL2527111 0.78 LMNA (0.36) FABP3FABP4FABP5
Ammonia Solution, Strong SCHEMBL23749126 0.76 CYP2D6 (0.41) FABP3FABP4FABP5DHODHCYP1A2
SCHEMBL151780 0.75 TYR (0.39)
SCHEMBL20599447 0.74 ALDH1A1 (0.36) DHODHCYP1A2
Ammonia Solution, Strong SCHEMBL23749115 0.73 DHODH (0.41) DHODHCYP1A2
SCHEMBL7783819 0.73 TYR (0.44)
SCHEMBL7779119 0.73 TYR (0.44)
SCHEMBL7786243 0.73 TYR (0.44)

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
CN-105339085-A Non-phthalate compounds as electron donors for polyolefin catalysts FORMOSA PLASTICS CORP USA 2016-02-17 CN disclosed