SCHEMBL9636932

SCHEMBL9636932

CCC[S+](CCC)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
AKR1B1 P15121 1/20 0.46
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
MEN1 O00255 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL9637063 0.81 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9636940 0.76 FFAR3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9323454 0.75 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
Oxalic Acid SCHEMBL1052519 0.74 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL6847594 0.74
Butyric Acid SCHEMBL28310469 0.71
Butyric Acid SCHEMBL991717 0.70 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL8458708 0.70 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL339305 0.70 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL1332215 0.70

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-5139791-A Sulfonium salts Nakajima, Kenji (JP) 1992-08-18 US claimed