SCHEMBL4628920

SCHEMBL4628920

C=C(CC)Cc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.57
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ MAPT P10636 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ AHR P35869 1/20 0.55
▸ GPR84 Q9NQS5 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HSD17B10 Q99714 2/20 0.53
▸ SLC6A2 P23975 2/20 0.53
▸ FNTA P49354 1/20 0.53
▸ FNTB P49356 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL4628084 0.83 MEN1 (0.58) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL12691322 0.81 MEN1 (0.65) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL9967917 0.80 PKM (0.66) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL30354024 0.80 PKM (0.66) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL8166585 0.80 PKM (0.69) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL9531242 0.79 MEN1 (0.62) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL10088137 0.77 MEN1 (0.59) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL29413080 0.76 MEN1 (0.69) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL90504 0.76 MEN1 (0.69) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL21011108 0.76 ADRB1 (0.52) MEN1KMT2AMAPTKDM4ESLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529776-B1 Amino acid derivatives and sweetening agent AJINOMOTO KK (JP) 2008-03-05 — — EP disclosed
US-7244462-B2 Amino acid derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2007-07-17 — — US disclosed
US-20050118317-A1 Novel amino acid derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2005-06-02 — — US disclosed
EP-1529776-A2 Amino acid derivatives and sweetening agent Ajinomoto Co., Inc. (JP) 2005-05-11 — — EP disclosed
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