SCHEMBL28534417

SCHEMBL28534417

FC(F)(F)c1ccc2ccccc2c1CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HSD17B10 Q99714 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2A6 P11509 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KCNJ11 Q14654 4/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL6421434 0.81 HSD17B10 (0.41) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21623593 0.81 KCNJ11 (0.42) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1538817 0.77 KCNJ11 (0.41) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15414554 0.75 SLC2A1 (0.55) L3MBTL1KDM4EMEN1KMT2AMAPT
SCHEMBL9435264 0.75 CYP2A6 (0.54) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27957720 0.73 TAAR1 (0.43) L3MBTL1HSD17B10ALDH1A1KDM4EPOLB
SCHEMBL6011729 0.72 L3MBTL1 (0.59) L3MBTL1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL2513921 0.72 HSD17B10 (0.46) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2466465 0.72 L3MBTL1 (0.59) L3MBTL1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL1538755 0.72 HSD17B10 (0.42) HSD17B10ALDH1A1KDM4EMEN1KMT2A

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
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