SCHEMBL27698271

SCHEMBL27698271

Cc1ccc(CCC(=O)O)cc1.[NaH]

nearest known ligand 0.96

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.76
KEAP1 Q14145 1/20 0.61
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 2/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL169770 0.98 FFAR1 (0.79) FFAR1KEAP1ALDH1A1L3MBTL1TDP1
SCHEMBL1510710 0.92 FFAR1 (0.71) FFAR1KEAP1ALDH1A1L3MBTL1TDP1
SCHEMBL19914066 0.87 FFAR1 (0.65) FFAR1KEAP1ALDH1A1L3MBTL1TDP1
SCHEMBL9495863 0.87 FFAR1 (0.65) FFAR1KEAP1ALDH1A1L3MBTL1TDP1
SCHEMBL12087474 0.87 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL69746 0.86 FFAR1 (0.81) FFAR1KEAP1L3MBTL1CA1CA2
SCHEMBL764952 0.85 SMN1; SMN2 (0.67) FFAR1ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL7020238 0.84 FFAR1 (0.66) FFAR1KEAP1ALDH1A1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL25264643 0.84 FFAR1 (0.77) FFAR1KEAP1L3MBTL1CA1CA2
SCHEMBL1066202 0.83 MAPT (0.66) FFAR1ALDH1A1L3MBTL1TDP1KMT2A

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-101023062-A Production of alpha, beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA NV (BE) 2007-08-22 CN disclosed