SCHEMBL687753

SCHEMBL687753

CCOc1c(Cl)ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 4/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 3/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 4/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 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
SCHEMBL686968 0.91 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL686816 0.87 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687890 0.86 KMT2A (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688605 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687725 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL686857 0.85 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688444 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688336 0.84 HPGD (0.38) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688052 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688349 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2

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