SCHEMBL5982999

SCHEMBL5982999

CC(=O)N(CCC(C)O)NCCc1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
RARB P10826 6/20 0.38
MMP8 P22894 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ACACB O00763 1/20 0.37
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
MEN1 O00255 2/20 0.36
RARA P10276 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL4945967 0.90 KMT2A (0.39) KMT2ARARBMMP8ALDH1A1ACACB
SCHEMBL5982548 0.84 PTGER4 (0.45) KMT2AMMP8ADRB1ADRB3MEN1
SCHEMBL5982493 0.83 PTGER4 (0.48) KMT2ARARBALDH1A1MEN1RARA
SCHEMBL5988841 0.83 ALDH1A1 (0.41) KMT2AALDH1A1ADRB1ADRB3MEN1
SCHEMBL5983445 0.83 PTGER4 (0.40) ALDH1A1MAPTHTTSMN1; SMN2PTGER4
SCHEMBL5982781 0.82 EPHX1 (0.38) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL5982183 0.79 ADAM17 (0.41) KMT2AMEN1SMN1; SMN2
SCHEMBL5981555 0.79 ACACB (0.47) ACACBMMP12PTGER4PTGER2
SCHEMBL5983075 0.79 PTGER4 (0.51) ADRB1ADRB3MTORPTGER4PTGER2
SCHEMBL5983282 0.79 BCL2 (0.43) ADRB1ADRB3PTGER4PTGER2

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-1654219-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012232-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed