SCHEMBL28545489

SCHEMBL28545489

C=C(Cc1cc(OC(C)(C)C)ccc1-c1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PPARG P37231 5/20 0.38
PPARA Q07869 4/20 0.38
BACE1 P56817 2/20 0.37
PTGS1 P23219 1/20 0.35
FFAR1 O14842 4/20 0.35
FFAR4 Q5NUL3 4/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARD Q03181 1/20 0.34
SHMT1 P34896 1/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
POLB P06746 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
SCHEMBL25274876 0.86 PPARA (0.43) PPARGPPARAFFAR1FFAR4CYP2C9
SCHEMBL29358263 0.74 KMT2A (0.53) PPARGPPARAPTGS1FFAR1FFAR4
SCHEMBL867318 0.74 KMT2A (0.53) PPARGPPARAPTGS1FFAR1FFAR4
SCHEMBL9892677 0.73 FFAR4 (0.49) PTGS1FFAR1FFAR4CYP2C9
SCHEMBL30823261 0.73 ALDH1A1 (0.42) MTNR1AMTNR1BPPARGPPARACYP2C9
SCHEMBL6892400 0.72 SRD5A2 (0.59)
SCHEMBL9892666 0.71 FFAR4 (0.45) FFAR1FFAR4CYP2C9
Biphenyl SCHEMBL30213459 0.71 KMT2A (0.46) PPARGPPARABACE1PTGS1FFAR1
SCHEMBL9890648 0.71 HSD17B10 (0.62) MTNR1AMTNR1BPPARGBACE1PTGS1
SCHEMBL16660495 0.69 CYP2C9 (0.40) FFAR4CYP2C9LMNAALDH1A1

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
CN-112731765-B Fluorine-containing resin composition, preparation method thereof and preparation method of cured film containing fluorine-containing resin composition 西安瑞联新材料股份有限公司 2024-03-26 CN disclosed
CN-112731765-A Fluorine-containing resin composition, preparation method thereof and preparation method of cured film containing fluorine-containing resin composition 西安瑞联新材料股份有限公司 2021-04-30 CN disclosed