SCHEMBL25473178

SCHEMBL25473178

CC(C)C(C)(C)C(=O)OCc1c2ccccc2cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
TACR1 P25103 1/20 0.43
EDNRA P25101 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 4/20 0.37
GLA P06280 3/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
GPR35 Q9HC97 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL25470360 0.89 EPHX1 (0.44) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL7263293 0.85 EPHX1 (0.50) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL14863734 0.84 EPHX1 (0.49) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL12128718 0.82 EPHX1 (0.48) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL13814122 0.82 EPHX1 (0.48) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL2735484 0.81 EPHX1 (0.47) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL20609465 0.81 EPHX1 (0.47) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL9608689 0.80 EPHX1 (0.51) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL12133800 0.79 EPHX1 (0.50) EPHX1TACR1EDNRAL3MBTL1HTR2A
SCHEMBL13749702 0.78 EPHX1 (0.44) EPHX1TACR1EDNRAL3MBTL1HTR2A

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
WO-2023083933-A1 NEUTRAL BRUSHES WITH TUNABLE POLARITY FOR SELF-ASSEMBLY OF BLOCK COPOLYMERS WITH POLY(STYRENE) AND POLY(METHYL METHACRYLATE) CONTAINING SEGMENTS MERCK PATENT GMBH (DE) 2023-05-19 WO disclosed