SCHEMBL688323

SCHEMBL688323

O=C(O)C[C@H](NC(=O)Nc1c(O)c2c(n(Cc3ccccc3Cl)c1=O)CCC2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSA P10619 2/20 0.36
EGLN3 Q9H6Z9 4/20 0.36
EGLN2 Q96KS0 3/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
FABP4 P15090 2/20 0.33

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
SCHEMBL714563 0.94 CTSA (0.43) EGLN1MEN1KMT2AMAPTTHRB
SCHEMBL688522 0.93 EGLN1 (0.47) EGLN1MEN1KMT2AMAPTTHRB
SCHEMBL687667 0.90 ALDH1A1 (0.43) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL688444 0.90 MEN1 (0.43) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL687940 0.89 MEN1 (0.42) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL688572 0.88 MEN1 (0.47) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL688610 0.88 MEN1 (0.44) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL686922 0.87 MEN1 (0.39) EGLN1MEN1KMT2AMAPTALDH1A1
SCHEMBL687013 0.87 MEN1 (0.43) EGLN1MEN1KMT2AALDH1A1HPGD
SCHEMBL688189 0.87 MEN1 (0.43) EGLN1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed