SCHEMBL28397404

SCHEMBL28397404

CC(C)c1ccccc1-c1cccc(OC(=O)O)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
LPAR1 Q92633 1/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN5 P54829 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL9706054 0.88 KCNK3 (0.43) LPAR1LMNAKMT2ACYP1A2TSHR
SCHEMBL28888676 0.85 KMT2A (0.42) PPARAPPARGLPAR1LMNAKMT2A
SCHEMBL246689 0.81 HNF4A (0.46) LMNA
SCHEMBL1836907 0.81 MYC (0.42) FFAR1LMNATSHR
SCHEMBL29057199 0.79 HNF4A (0.43) LMNA
SCHEMBL1837252 0.78 MYC (0.41) FFAR1PPARGLMNACYP1A2TSHR
SCHEMBL1838337 0.78 PLA2G2A (0.39) PPARAPPARGKMT2APTPN5
SCHEMBL9979219 0.78 TSHR (0.49) LPAR1LMNAKMT2ACYP1A2TSHR
SCHEMBL1156688 0.77 ALDH1A1 (0.43) PPARAPPARGKMT2ACYP1A2CYP2C19
SCHEMBL15560740 0.75 ELANE (0.41) LPAR1LMNAKMT2A

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-107207845-B Copolycarbonate compositions comprising PE-waxes with improved processability 科思创德国股份有限公司 2021-03-12 CN disclosed
CN-107207846-B Copolycarbonate compositions comprising diglyceride with improved rheological and optical properties 科思创德国股份有限公司 2020-05-19 CN disclosed