SCHEMBL9566966

SCHEMBL9566966

CC(C)(C)c1cc(OC(=O)Cl)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK14 Q16539 3/20 0.39
EPHX2 P34913 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8964855 0.84 NPC1 (0.44) EGFRALDH1A1MAPK1NPC1RAB9A
SCHEMBL8964871 0.83 EGFR (0.43) EGFRALDH1A1MAPK1NPC1RAB9A
SCHEMBL8305554 0.77 TMPRSS15 (0.48) EGFRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9315098 0.74 ALDH1A1 (0.53) EGFRALDH1A1MAPK1NPC1RAB9A
SCHEMBL803439 0.74 MEN1 (0.44) EGFRALDH1A1MAPK1NPC1RAB9A
SCHEMBL19454702 0.72 MEN1 (0.43) EGFRALDH1A1MAPK1NPC1RAB9A
SCHEMBL12647131 0.72 MEN1 (0.43) EGFRALDH1A1MAPK1NPC1RAB9A
SCHEMBL6650653 0.70 ALDH1A1 (0.58) EGFRALDH1A1NPC1RAB9AKMT2A
SCHEMBL11158107 0.70 EGFR (0.69) EGFRNPC1RAB9AKMT2AMEN1
SCHEMBL26151601 0.70 MEN1 (0.39) EGFRALDH1A1MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551821-A1 Isoxazolecarboxylic acid derivatives and their use as herbicides BAYER AG (DE) 1993-07-21 EP disclosed