SCHEMBL688594

SCHEMBL688594

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2cccs2)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.47
WDR5 P61964 2/20 0.41
CTSA P10619 2/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL688850 0.91 PTGER3 (0.41) PTGER3CTSAKDM4EALDH1A1L3MBTL1
SCHEMBL687576 0.89 ALDH1A1 (0.48) PTGER3CTSAKDM4EALDH1A1L3MBTL1
SCHEMBL687831 0.88 ALDH1A1 (0.45) PTGER3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL686923 0.87 ALDH1A1 (0.38) PTGER3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL687240 0.86 PTGER3 (0.51) PTGER3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL688383 0.85 ALDH1A1 (0.46) PTGER3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL686746 0.84 CYP26A1 (0.40) PTGER3KDM4EALDH1A1MAPTPOLB
SCHEMBL687917 0.83 KDM4E (0.47) PTGER3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL687812 0.82 POLB (0.45) MAPTSMN1; SMN2POLBLMNANPC1
SCHEMBL688134 0.81 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPTLMNA

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 3 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-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 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