SCHEMBL31072774

SCHEMBL31072774

CCOC(=O)C(C)(C)c1cccc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CNR2 P34972 5/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ MRGPRX4 Q96LA9 3/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29342594 1.00 POLB (0.47) POLBNPC1CYP2C9RAB9ACNR2
SCHEMBL13477414 0.87 PARP1 (0.47) CNR2KMT2AKIF11ACHE
SCHEMBL2060134 0.83 CNR2 (0.52) CNR2KIF11PIN1ACHE
SCHEMBL395978 0.82 PIN1 (0.54) POLBCNR2KMT2ASMN1; SMN2NPSR1
Benzene SCHEMBL28258998 0.82 PIN1 (0.54) POLBCNR2KMT2ASMN1; SMN2NPSR1
SCHEMBL3923273 0.81 CNR2 (0.51) POLBCNR2PIN1
SCHEMBL421400 0.80 CNR2 (0.47) CNR2KMT2ASMN1; SMN2
SCHEMBL5216184 0.80 NPSR1 (0.49) POLBCNR2KMT2ASMN1; SMN2NPSR1
SCHEMBL12021018 0.80 CNR2 (0.47) CNR2NPSR1PIN1
SCHEMBL29701153 0.80 CNR2 (0.47) CNR2KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 — — EP disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 — — WO disclosed
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