SCHEMBL9788253

SCHEMBL9788253

CCCc1c(C(=O)O)c(=O)cnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.56
ALDH1A1 P00352 9/20 0.50
MAPT P10636 6/20 0.50
MAPK1 P28482 4/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 1/20 0.50
MAPK14 Q16539 2/20 0.49
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45

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
SCHEMBL9788244 0.92 NR4A3 (0.53) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL9788273 0.89 NR4A3 (0.67) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL9005800 0.88 MAPT (0.51) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL9788330 0.86 NR4A3 (0.42) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL9788277 0.86 NR4A3 (0.41) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL9788295 0.82 LMNA (0.43) NR4A3ALDH1A1MAPTGAAMAPK14
SCHEMBL9788337 0.82 NR4A3 (0.50) NR4A3ALDH1A1MAPTMAPK1MAPK14
SCHEMBL773204 0.81 NR4A3 (0.78) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL9788265 0.81 NR4A3 (0.41) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL10813419 0.81 RAB9A (0.46) NR4A3ALDH1A1MAPTMAPK1RAB9A

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
US-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 US disclosed
EP-0049971-B1 SUBSTITUTED PYRIDAZINES, PROCESSES FOR MAKING THEM, THEIR USE AS PLANT GROWTH REGULATORS, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1987-04-08 EP disclosed
EP-0049971-A1 Substituted pyridazines, processes for making them, their use as plant growth regulators, and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1982-04-21 EP disclosed