SCHEMBL9614520

SCHEMBL9614520

COc1ccc(CONC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL28782183 0.81 ALDH1A1 (0.52) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL7210303 0.81 MAPT (0.52) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL7210312 0.81 MAPT (0.49) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL7210307 0.81 MAPT (0.49) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL8130954 0.80 MTNR1A (0.52) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL5218396 0.80 MAPT (0.50) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL4014665 0.79 CYP1A2 (0.63) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL2436193 0.79 CYP1A2 (0.63) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL6779809 0.79 MEN1 (0.52) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL2435599 0.78 PDGFRB (0.56) ALDH1A1MAPTLMNANPC1RAB9A

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-0446299-A4 METHOD FOR SITE-SPECIFICALLY INCORPORATING UNNATURAL AMINO ACIDS INTO PROTEINS 1992-05-13 EP disclosed
EP-0446299-A1 METHOD FOR SITE-SPECIFICALLY INCORPORATING UNNATURAL AMINO ACIDS INTO PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-18 EP disclosed
WO-1990005785-A1 METHOD FOR SITE-SPECIFICALLY INCORPORATING UNNATURAL AMINO ACIDS INTO PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-31 WO disclosed