SCHEMBL9591177

SCHEMBL9591177

CCCNc1nccc(C)c1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 7/20 0.41
▸ NUDT1 P36639 1/20 0.41

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
SCHEMBL11495836 0.90 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6612663 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2113012 0.77 CA12 (0.55) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL306569 0.77 CA12 (0.50) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9308847 0.75 BRD4 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL27185753 0.75 CA12 (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL27927983 0.74 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL31214492 0.74 CA12 (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL1260935 0.74 CA12 (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2527607 0.74 CA12 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1

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-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 — — US disclosed
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