SCHEMBL11401593

SCHEMBL11401593

CCC(=O)Oc1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.45
HSD17B10 Q99714 4/20 0.45
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
MIF P14174 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 3/20 0.43
XDH P47989 2/20 0.43
HSP90AA1 P07900 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
SCHEMBL11138413 0.88 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL27274457 0.84 LOXL2 (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL5469722 0.82 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL10765355 0.82 XDH (0.56) RAB9ANPC1SMN1; SMN2TP53L3MBTL1
SCHEMBL28689673 0.81 TP53 (0.46) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL8650517 0.80 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21629495 0.80 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL28689683 0.80 MEN1 (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL28665620 0.78 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
Malonic Acid SCHEMBL10582296 0.78 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US claimed
CN-113818033-B Electrochemical synthesis method of 2-substituted benzoxazole derivative 诚达药业股份有限公司 2022-10-14 CN disclosed
CN-113818033-A Electrochemical synthesis method of 2-substituted benzoxazole derivative 诚达药业股份有限公司 2021-12-21 CN disclosed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US disclosed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US disclosed
US-4304918-A Process for preparing benzoxazolyl propionic acid derivatives RAVIZZA S.P.A. (IT) 1981-12-08 US disclosed
US-4113718-A Basic azo dyes CIBA-GEIGY CORPORATION (US) 1978-09-12 US disclosed