SCHEMBL688038

SCHEMBL688038

CCCc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
HMGCR P04035 2/20 0.37
MAPT P10636 3/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PTGER3 P43115 1/20 0.36

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
SCHEMBL688052 0.95 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688349 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688444 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687120 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687331 0.91 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688313 0.90 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687806 0.90 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688337 0.90 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688572 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688345 0.88 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