SCHEMBL9788322

SCHEMBL9788322

CCCCc1c(C(=O)O)c(=O)cnn1-c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 4/20 0.43
NR4A3 Q92570 1/20 0.41
AGTR1 P30556 3/20 0.38
NPBWR1 P48145 1/20 0.38
RIPK2 O43353 1/20 0.37
GAA P10253 1/20 0.37
MAPK14 Q16539 2/20 0.36
PLA2G10 O15496 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 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
SCHEMBL9788244 0.87 NR4A3 (0.53) ALDH1A1RAB9ASMN1; SMN2POLBLMNA
SCHEMBL10813419 0.81 RAB9A (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1POLB
SCHEMBL9788265 0.81 NR4A3 (0.41) ALDH1A1RAB9ASMN1; SMN2POLBLMNA
SCHEMBL10358133 0.81 BCL2 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1POLB
SCHEMBL9788326 0.80 MAPK14 (0.45) LMNANR4A3NPBWR1MAPK14KEAP1
SCHEMBL9788253 0.80 NR4A3 (0.56) ALDH1A1RAB9APOLBLMNANR4A3
SCHEMBL9788315 0.77 AGTR1 (0.40) ALDH1A1SMN1; SMN2POLBLMNANR4A3
SCHEMBL9788295 0.76 LMNA (0.43) ALDH1A1SMN1; SMN2LMNANR4A3GAA
SCHEMBL9788330 0.75 NR4A3 (0.42) ALDH1A1RAB9APOLBLMNANR4A3
SCHEMBL9788273 0.74 NR4A3 (0.67) ALDH1A1RAB9ASMN1; SMN2NPC1POLB

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
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