SCHEMBL30823261

SCHEMBL30823261

C=C(Cc1c(OC(C)(C)C)cccc1-c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 9/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 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
SCHEMBL244854 0.76 FOLH1 (0.45) L3MBTL1LMNA
SCHEMBL25274876 0.74 PPARA (0.43) CYP2C9CYP2C19PPARGPPARDPPARA
SCHEMBL28545489 0.73 MTNR1A (0.39) ALDH1A1MTNR1AMTNR1BLMNACYP2C9
SCHEMBL8017279 0.71 HTR7 (0.46) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TDP1
SCHEMBL16660495 0.70 CYP2C9 (0.40) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TDP1
SCHEMBL27515199 0.69 HTR7 (0.44) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TDP1
SCHEMBL21583169 0.69 CD274 (0.39) ALDH1A1KDM4ESMN1; SMN2MTNR1AMTNR1B
SCHEMBL867318 0.69 KMT2A (0.53) LMNAPPARGPPARA
SCHEMBL29358263 0.69 KMT2A (0.53) LMNAPPARGPPARA
SCHEMBL27344682 0.68 HTR7 (0.43) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TDP1

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-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