SCHEMBL28538586

SCHEMBL28538586

CC(C)c1ccc2ccccc2c1CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HPRT1 P00492 1/20 0.37
PAX8 Q06710 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
SCHEMBL5457448 0.83 NCEH1 (0.43) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL9578028 0.79 ALDH1A1 (0.42) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL10583447 0.77 MAPT (0.40) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL10583442 0.77 KDM4E (0.46) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL22364125 0.76 KDM4E (0.61) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL9577800 0.75 MAPT (0.39) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL12533427 0.75 CYP2A6 (0.54) L3MBTL1MAPTALDH1A1TDP1LMNA
SCHEMBL706356 0.75 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1KDM4ETDP1
SCHEMBL9852699 0.75 HPRT1 (0.46) L3MBTL1ALDH1A1TDP1HSD17B10CYP1A2
SCHEMBL15413946 0.74 MAPT (0.54) L3MBTL1MAPTALDH1A1KDM4ETDP1

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-107235842-B Phenylpropanoate derivative and preparation method and application thereof 西安科技大学 2021-02-26 CN disclosed