SCHEMBL8041218

SCHEMBL8041218

CC(C)COc1ccc(OC(C(=O)Nc2ccccc2C(=O)O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HCAR2 Q8TDS4 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GPR88 Q9GZN0 1/20 0.48
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
PLK1 P53350 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL8044213 0.89 MEN1 (0.50) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL8038282 0.87 PLK1 (0.50) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL8027746 0.87 ALDH1A1 (0.55) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL8037897 0.86 CTSV (0.52) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL8039700 0.83 ALDH1A1 (0.49) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL8027750 0.81 PLK1 (0.45) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL8038287 0.79 FNTA (0.52) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL8039699 0.78 TSHR (0.58) KMT2ANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL8037867 0.77 TSHR (0.57) KMT2ASMN1; SMN2TSHRTDP1ALDH1A1
SCHEMBL8039720 0.77 TSHR (0.67) KMT2ASMN1; SMN2TSHRTDP1ALDH1A1

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed