SCHEMBL2780432

SCHEMBL2780432

CC(=O)NC(Cc1ccc(N)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
RECQL P46063 2/20 0.51
MMP8 P22894 1/20 0.48
BLM P54132 1/20 0.41
FDPS P14324 1/20 0.40
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
DHFR P00374 1/20 0.39
TSHR P16473 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
HIF1A Q16665 2/20 0.38
MAPK1 P28482 2/20 0.37
ESRRG P62508 1/20 0.37
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPID Q08752 1/20 0.37
PPIG Q13427 1/20 0.37
ITGB3 P05106 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
SCHEMBL6051898 0.88 RECQL (0.50) ALDH1A1RECQLMMP8BLMSMN1; SMN2
SCHEMBL6051878 0.86 ALDH1A1 (0.51) ALDH1A1RECQLMMP8BLMEPHX2
SCHEMBL28168069 0.86 ALDH1A1 (0.67) ALDH1A1RECQLMMP8SMN1; SMN2HIF1A
SCHEMBL6051877 0.85 ALDH1A1 (0.50) ALDH1A1RECQLMMP8BLMSMN1; SMN2
SCHEMBL339395 0.83 ALDH1A1 (0.56) ALDH1A1RECQLMMP8SMN1; SMN2TSHR
SCHEMBL4065071 0.81 ALDH1A1 (0.50) ALDH1A1RECQLMMP8FDPSTSHR
SCHEMBL6361552 0.81 ALDH1A1 (0.47) ALDH1A1RECQLMMP8EPHX2ACACB
SCHEMBL6160783 0.81 ALDH1A1 (0.47) ALDH1A1RECQLMMP8EPHX2TDP1
SCHEMBL6782409 0.80 ALDH1A1 (0.76) ALDH1A1RECQLMMP8TSHRMAPK1
SCHEMBL9001364 0.78 TSHR (0.45) ALDH1A1RECQLMMP8FDPSEPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248901-A1 Streptogramines and method for preparing same by mutasynthesis Aventis Pharma S.A. (FR) 2010-11-10 EP disclosed
EP-0770132-B1 NEW STREPTOGRAMINES AVENTIS PHARMA SA (FR) 2010-09-08 EP disclosed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP disclosed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 WO disclosed