SCHEMBL28527307

SCHEMBL28527307

COc1cccc2c(CCl)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ SLC2A1 P11166 1/20 0.42
▸ IDO1 P14902 4/20 0.42
▸ EP300 Q09472 1/20 0.41
▸ KAT8 Q9H7Z6 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL4699067 0.88 SLC2A1 (0.54) MEN1KMT2AATMCYP2C9HIF1A
SCHEMBL13486908 0.82 MEN1 (0.49) MEN1KMT2AATMCYP2C9HIF1A
SCHEMBL3581544 0.82 ATM (0.49) MEN1KMT2AATMCYP2C9HIF1A
SCHEMBL7838089 0.80 MEN1 (0.48) MEN1KMT2AATMCYP2C9HIF1A
SCHEMBL17187879 0.80 CYP2C9 (0.47) MEN1KMT2AATMCYP2C9HIF1A
SCHEMBL2986215 0.80 TAAR1 (0.50) MEN1KMT2AATMCYP2C9HIF1A
SCHEMBL31614197 0.80 IDO1 (0.41) MEN1KMT2AIDO1TAAR1KDM4E
SCHEMBL11673960 0.80 ALOX5 (0.54) MEN1KMT2AATMCYP2C9HIF1A
SCHEMBL31116611 0.80 CA1 (0.61) MEN1KMT2AIDO1EP300KAT8
SCHEMBL2468219 0.80 ALDH1A1 (0.39) KMT2ACYP2C9LMNAHTTL3MBTL1

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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