SCHEMBL9865773

SCHEMBL9865773

CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.46
PTGER1 P34995 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SGMS2 Q8NHU3 1/20 0.45
LRRK2 Q5S007 2/20 0.45
MGLL Q99685 1/20 0.44
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
C5AR1 P21730 1/20 0.44
LTA4H P09960 1/20 0.44
HTT P42858 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
SYK P43405 1/20 0.43
ESRRA P11474 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
SCHEMBL20418351 0.91 RAB9A (0.48) MEN1KMT2ACYP2C9PTGER1GAA
SCHEMBL29447700 0.91 RAB9A (0.48) MEN1KMT2ACYP2C9PTGER1GAA
SCHEMBL9865221 0.90 FOLH1 (0.53) MEN1KMT2ACYP2C9PTGER1GAA
SCHEMBL15055245 0.84 RAB9A (0.54) KMT2ACYP2C9GAARAB9ANPC1
SCHEMBL19511313 0.83 C5AR1 (0.44) MEN1KMT2ACYP2C9PTGER1GAA
SCHEMBL20400859 0.83 NPC1 (0.51) MEN1KMT2ACYP2C9PTGER1GAA
SCHEMBL10152859 0.83 ALDH1A1 (0.57) MEN1KMT2ACYP2C9PTGER1GAA
SCHEMBL15055137 0.83 RAB9A (0.46) KMT2ACYP2C9GAARAB9ANPC1
SCHEMBL9335648 0.81 LRRK2 (0.46) MEN1KMT2ACYP2C9PTGER1GAA
SCHEMBL9866013 0.80 RAB9A (0.47) MEN1KMT2ACYP2C9PTGER1GAA

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
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed