SCHEMBL8556375

SCHEMBL8556375

CC(C[C@H](CC(=O)O)C(=O)O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
ACACB O00763 2/20 0.41
FFAR1 O14842 7/20 0.40
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7814760 0.85 FFAR1 (0.51) ALDH1A1TSHRACACBFFAR1POLB
SCHEMBL31037707 0.85 FFAR1 (0.51) ALDH1A1TSHRACACBFFAR1POLB
SCHEMBL18290536 0.79 CPA1 (0.53) TSHRFFAR1CPA1CPB1CPA3
SCHEMBL8554383 0.76 PPARA (0.46) ACACBCPA1CPB1CPA3CPB2
SCHEMBL18412109 0.75 ACACB (0.41) ALDH1A1TSHRACACB
SCHEMBL27582399 0.75 KMT2A (0.43) ALDH1A1TSHRACACBFFAR1POLB
SCHEMBL4987414 0.74 EPHX2 (0.47) ALDH1A1TSHR
SCHEMBL5325047 0.74 PPARA (0.55) ALDH1A1TSHRFFAR1POLBFFAR4
SCHEMBL7071316 0.73 TRPA1 (0.41) ALDH1A1L3MBTL1
SCHEMBL7071317 0.73 TRPA1 (0.41) ALDH1A1L3MBTL1

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
EP-0848957-A1 Fas LIGAND SOLUBILIZATION INHIBITOR KANEBO LTD. (JP) 1998-06-24 EP disclosed