SCHEMBL8964855

SCHEMBL8964855

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EGFR P00533 1/20 0.44
MAPK14 Q16539 3/20 0.41
RAF1 P04049 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
FLT3 P36888 2/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 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
SCHEMBL8964871 0.84 EGFR (0.43) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL9566966 0.84 EGFR (0.46) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL875579 0.76 TMPRSS15 (0.49) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL803439 0.75 MEN1 (0.44) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL19454702 0.73 MEN1 (0.43) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL1809204 0.73 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL12647131 0.73 MEN1 (0.43) NPC1RAB9AMEN1KMT2AEGFR
Hydrochloric Acid SCHEMBL9315107 0.72 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL16571266 0.71 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL14200177 0.70 MEN1 (0.41) NPC1RAB9AMEN1KMT2AEGFR

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
EP-0459244-B1 Sulphonilised carboxylic acid amides BAYER AG (DE) 1996-02-28 EP disclosed
EP-0569810-A1 Sulphonylamide herbicides BAYER AG (DE) 1993-11-18 EP disclosed
EP-0551821-A1 Isoxazolecarboxylic acid derivatives and their use as herbicides BAYER AG (DE) 1993-07-21 EP disclosed
EP-0459244-A1 Sulphonilised carboxylic acid amides BAYER AG (DE) 1991-12-04 EP disclosed