SCHEMBL11201638

SCHEMBL11201638

NC(=O)CC[C@H](N)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSD P07339 1/20 0.39

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
SCHEMBL1653846 0.90 GPR35 (0.39) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL27545476 0.85 L3MBTL1 (0.46) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL2678980 0.84 L3MBTL1 (0.48) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL9068341 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL11778207 0.83 L3MBTL1 (0.45) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL7948521 0.82 CYP1A2 (0.49) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL29653751 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL30451723 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL27781696 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL8543190 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9ANPC1RECQL

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-0016611-B1 TRIPEPTIDES, PROCESS FOR THEIR PREPARATION, THERAPEUTIC COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR USE ORTHO PHARMACEUTICAL CORPORATION (US) 1983-08-17 EP claimed
EP-0016611-A2 Tripeptides, process for their preparation, therapeutic compositions containing them and methods for their use ORTHO PHARMACEUTICAL CORPORATION (US) 1980-10-01 EP claimed