SCHEMBL9636940

SCHEMBL9636940

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
AKR1B1 P15121 1/20 0.36
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 7/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
PTPN1 P18031 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR2 O60603 2/20 0.35
FABP4 P15090 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35

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
SCHEMBL9635478 0.84 AKR1B1 (0.44) FFAR3HDAC1HDAC2HDAC3HDAC8
SCHEMBL9635543 0.82 AKR1B1 (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL9636891 0.77
SCHEMBL9636932 0.76 FFAR3 (0.52) FFAR3HDAC1HDAC2HDAC3HDAC8
SCHEMBL8258665 0.74
Oxalic Acid SCHEMBL1052519 0.70 FFAR3 (0.38) FFAR3HDAC1HDAC2HDAC3HDAC8
SCHEMBL1071553 0.67 LMNA (0.31) TSHR
Propionic Acid SCHEMBL11421514 0.64
Bromide SCHEMBL5150073 0.64
Water SCHEMBL2824897 0.64

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