SCHEMBL688394

SCHEMBL688394

CCn1c2ccccc2c2cc([C@H](CC(=O)O)NC(=O)Nc3c(O)c(C)cn(Cc4ccccc4Cl)c3=O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 1/20 0.37
PTGER3 P43115 2/20 0.36
THRB P10828 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
SCHEMBL688170 0.86 PTGER3 (0.41) MAPTALDH1A1KDM4ESLC22A12SMN1; SMN2
SCHEMBL688216 0.86 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL688053 0.85 PTGER3 (0.43) MAPTALDH1A1KDM4ESLC22A12SMN1; SMN2
SCHEMBL686846 0.85 PTGER3 (0.41) MAPTALDH1A1SLC22A12SMN1; SMN2PTGER3
SCHEMBL688442 0.85 PTGER3 (0.42) MAPTSLC22A12PTGER3
SCHEMBL686896 0.84 PTGER3 (0.44) SLC22A12PTGER3
SCHEMBL688284 0.84 PTGER3 (0.43) MAPTALDH1A1KDM4ESLC22A12SMN1; SMN2
SCHEMBL29371834 0.84 PTGER3 (0.44) SLC22A12PTGER3
SCHEMBL688581 0.84 PTGER3 (0.44) KMT2AALDH1A1KDM4ESLC22A12SMN1; SMN2
SCHEMBL687687 0.84 PTGER3 (0.38) SLC22A12PTGER3

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