SCHEMBL28093205

SCHEMBL28093205

C=C(C)C(=O)OSc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
BRD4 O60885 1/20 0.34
MMP1 P03956 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 4/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL2780454 0.85 HPGD (0.45) MAPTLMNAL3MBTL1CYP2C19CYP2C9
SCHEMBL28833138 0.84 LMNA (0.38) MAPTLMNAHSD17B10ALDH1A1HTT
SCHEMBL21332520 0.81 HSD17B10 (0.42) MAPTLMNAL3MBTL1HSD17B10CYP2C19
SCHEMBL11850942 0.77 CYP2C19 (0.41) MAPTLMNAL3MBTL1HSD17B10CYP2C19
SCHEMBL6635392 0.75 CYP2C19 (0.48) MAPTLMNAHSD17B10CYP2C19CYP2C9
SCHEMBL7524562 0.73 CYP2C19 (0.45) MAPTLMNAL3MBTL1HSD17B10CYP2C19
SCHEMBL7524566 0.73 KDM4E (0.49) MAPTL3MBTL1HSD17B10CYP2C19CYP2C9
SCHEMBL4828988 0.72 MAPT (0.49) MAPTLMNAL3MBTL1HSD17B10CYP2C19
SCHEMBL452065 0.72 ELANE (0.59) MAPTLMNAL3MBTL1CYP2C19CYP1A2
SCHEMBL11570417 0.70 GRIN2D (0.49) MAPTLMNAHSD17B10CYP2C19CYP2C9

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-103890018-B Polyfunctional (meth) acrylate having fluorene skeleton and curable composition thereof 大阪燃气化学有限公司 2016-08-17 CN disclosed