SCHEMBL687488

SCHEMBL687488

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTGER3 P43115 1/20 0.44
CTSA P10619 3/20 0.43
ATM Q13315 1/20 0.43
PTGER4 P35408 1/20 0.42
PTGDR Q13258 1/20 0.42
P2RY14 Q15391 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 2/20 0.41
WDR5 P61964 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40

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
SCHEMBL688202 0.93 KDM4E (0.41) MAPTALDH1A1KDM4ESMN1; SMN2PTGER3
SCHEMBL688082 0.90 TP53 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2CTSA
SCHEMBL688357 0.90 POLB (0.41) MAPTALDH1A1KDM4EPTGER3CTSA
SCHEMBL687369 0.88 WDR5 (0.44) MAPTALDH1A1KDM4EPTGER3PTGER4
SCHEMBL688110 0.88 MEN1 (0.49) MAPTALDH1A1KDM4ECTSATP53
SCHEMBL687932 0.87 EGLN1 (0.44) MAPTALDH1A1KDM4ESMN1; SMN2PTGER3
SCHEMBL687511 0.86 MEN1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2CTSA
SCHEMBL688277 0.86 MEN1 (0.39) ALDH1A1KDM4ESMN1; SMN2CTSAATM
SCHEMBL686843 0.86 MAPT (0.47) MAPTALDH1A1KDM4ESMN1; SMN2PTGER3
SCHEMBL688248 0.86 POLB (0.39) MAPTALDH1A1KDM4ECTSALMNA

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