SCHEMBL11033909

SCHEMBL11033909

CC(=O)c1ccc(OCCCCCCCc2cc(C)no2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
HRH3 Q9Y5N1 3/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ADRB2 P07550 1/20 0.49
MAOB P27338 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL11033028 0.90 TP53 (0.55) GAATDP1POLB
SCHEMBL11033892 0.90 TP53 (0.55) GAATDP1POLB
SCHEMBL11031528 0.90 TP53 (0.55) GAATDP1POLB
SCHEMBL11034638 0.90 TP53 (0.55) GAATDP1POLB
SCHEMBL11034052 0.89 GAA (0.44) GAAL3MBTL1HRH3NPC1RAB9A
SCHEMBL11033885 0.89 PARP10 (0.46) GAAL3MBTL1HRH3CYP1A2CYP19A1
SCHEMBL11032310 0.89 TP53 (0.52) GAATDP1POLB
SCHEMBL11034168 0.88 CYP1A2 (0.45) GAAL3MBTL1HRH3NPC1RAB9A
SCHEMBL11031023 0.88 MAPT (0.54) GAAL3MBTL1NPC1RAB9ACYP1A2
SCHEMBL11030990 0.87 GPR119 (0.46) GAANPC1RAB9AADRB2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0111345-A2 Isoxazoles, useful as antiviral agents, and preparation thereof STERLING DRUG INC. (US) 1984-06-20 EP disclosed
US-4451476-A Isoxazoles as antiviral agents STERLING DRUG INC. (US) 1984-05-29 US disclosed