SCHEMBL29536174

SCHEMBL29536174

Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)C(C)C)ccc12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.66
▸ CA1 P00915 3/20 0.66
▸ CA9 Q16790 3/20 0.66
▸ TDP1 Q9NUW8 2/20 0.64
▸ RAB9A P51151 6/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ HPGD P15428 4/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ GAA P10253 2/20 0.58
▸ GLA P06280 1/20 0.58
▸ MAPT P10636 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.54

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
SCHEMBL29544277 0.91 CA12 (0.64) CA12CA1CA9TDP1RAB9A
SCHEMBL29543774 0.90 CA12 (0.69) CA12CA1CA9TDP1RAB9A
SCHEMBL3275292 0.90 CA12 (0.69) CA12CA1CA9TDP1RAB9A
SCHEMBL22882751 0.90 CA12 (0.69) CA12CA1CA9TDP1RAB9A
Hydrochloric Acid SCHEMBL29402049 0.89 CA12 (0.67) CA12CA1CA9TDP1RAB9A
SCHEMBL29543989 0.88 KDM4E (0.61) CA12CA1CA9TDP1RAB9A
SCHEMBL14176759 0.87 CA12 (0.72) CA12CA1CA9TDP1RAB9A
SCHEMBL5706432 0.84 CA12 (0.62) CA12CA1CA9TDP1RAB9A
SCHEMBL29543713 0.84 CA12 (0.62) CA12CA1CA9TDP1RAB9A
SCHEMBL571384 0.84 CA12 (0.62) CA12CA1CA9TDP1RAB9A

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
WO-2025019414-A1 SUBSTRATE-BASED PROBES FOR MONITORING PROTEASE ACTIVITY USING MALDI-TOFMS ZETEO TECH, INC. (US) 2025-01-23 — — WO disclosed
EP-3969440-A1 CONDENSED TRICYCLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-03-23 — — EP disclosed
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