SCHEMBL7459409

SCHEMBL7459409

O=C(C(Cl)Cl)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPGD P15428 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HTT P42858 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
SCHEMBL7458701 1.00 MEN1 (0.45) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL7452372 0.88 LMNA (0.41) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL7454025 0.88 LMNA (0.41) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL7257123 0.85 HPGD (0.44) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL7454176 0.85 HPGD (0.44) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL6947458 0.81 ALDH1A1 (0.45) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL6950290 0.81 ALDH1A1 (0.45) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL7463870 0.81 HPGD (0.46) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL7456216 0.81 HPGD (0.46) MEN1KMT2AHPGDCYP1A2ALDH1A1
SCHEMBL25342645 0.80 EPHX1 (0.50) MEN1KMT2AHPGDCYP1A2ALDH1A1

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
EP-0930292-B1 PROCESS FOR PREPARING BETA-AMINO-ALPHA-HYDROXY ACID DERIVATIVES KANEKA CORP (JP) 2002-10-16 — — EP claimed
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