SCHEMBL8556476

SCHEMBL8556476

CC(C(=O)O)C(=O)NCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.43
▸ EPHX2 P34913 6/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 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
SCHEMBL24105897 0.84 HSD11B1 (0.42) HSD11B1EPHX2NPC1RAB9AL3MBTL1
SCHEMBL13609189 0.78 KMT2A (0.47) HSD11B1EPHX2NPC1RAB9AL3MBTL1
SCHEMBL11076676 0.76 HSD11B1 (0.54) HSD11B1EPHX2NPC1RAB9AL3MBTL1
SCHEMBL21376619 0.74 HSD11B1 (0.47) HSD11B1EPHX2NPC1RAB9AL3MBTL1
SCHEMBL8556468 0.70 ALDH1A1 (0.56) EPHX2SMN1; SMN2
SCHEMBL24105916 0.68 HSD11B1 (0.40) HSD11B1EPHX2L3MBTL1CHRNB2CHRNB4
SCHEMBL11442309 0.68 HSD11B1 (0.41) HSD11B1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL27643099 0.67 ALDH1A1 (0.43) HSD11B1EPHX2NPC1RAB9AL3MBTL1
SCHEMBL7719165 0.67 HSD11B1 (0.42) HSD11B1EPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL11449230 0.67 HSD11B1 (0.40) HSD11B1EPHX2L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — WO claimed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP claimed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — WO disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP disclosed
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