SCHEMBL688270

SCHEMBL688270

COc1c(C)cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)cc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGER3 P43115 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 6/20 0.36
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
NLRP3 Q96P20 3/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL687940 0.92 MEN1 (0.42) MEN1KMT2APTGER3ALDH1A1HPGD
SCHEMBL688345 0.91 MEN1 (0.41) MEN1KMT2APTGER3ALDH1A1HPGD
SCHEMBL688444 0.90 MEN1 (0.43) MEN1KMT2APTGER3ALDH1A1HPGD
SCHEMBL687331 0.89 MEN1 (0.41) MEN1KMT2APTGER3ALDH1A1HPGD
SCHEMBL687592 0.89 MEN1 (0.43) MEN1KMT2APTGER3ALDH1A1HPGD
SCHEMBL687667 0.89 ALDH1A1 (0.43) MEN1KMT2APTGER3ALDH1A1HPGD
SCHEMBL688265 0.88 PTGER3 (0.42) MEN1KMT2APTGER3THRBALDH1A1
SCHEMBL688349 0.88 MEN1 (0.41) MEN1KMT2APTGER3ALDH1A1HPGD
SCHEMBL688307 0.88 MEN1 (0.38) MEN1KMT2APTGER3ALDH1A1HPGD
SCHEMBL688610 0.88 MEN1 (0.44) MEN1KMT2APTGER3ALDH1A1HPGD

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