SCHEMBL8205906

SCHEMBL8205906

COC(=O)CC1=CN=Cc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.42
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.35
P2RX4 Q99571 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8209850 0.86 RECQL (0.41) SMN1; SMN2ALDH1A1HSD17B10LMNAHTT
SCHEMBL7282045 0.85 TRPA1 (0.35) TRPA1CA12CA9ALDH1A1KDM4E
SCHEMBL9933270 0.79 TRPA1 (0.43) TRPA1SMN1; SMN2MAPTHSD17B10LMNA
SCHEMBL25341094 0.70 TRPA1 (0.39) TRPA1CA12CA9ALDH1A1KDM4E
SCHEMBL27540000 0.69 TRPA1 (0.43) TRPA1CA12CA9SMN1; SMN2MAPT
SCHEMBL10499941 0.69 TRPA1 (0.40) TRPA1CA12CA9
SCHEMBL30616800 0.68 TRPA1 (0.42) TRPA1CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL26686704 0.68 TRPA1 (0.42) TRPA1CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL7377318 0.68 TRPA1 (0.49) TRPA1CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL11660750 0.68 HPGD (0.46) CA12CA9SMN1; SMN2ALDH1A1KDM4E

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-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed