SCHEMBL26522778

SCHEMBL26522778

CCOC(=O)c1ccc2c(c1)OCc1ccc(Br)cc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ PRF1 P14222 1/20 0.45
▸ ROCK2 O75116 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL8141977 0.80 AKR1B1 (0.56) MAPTPRF1RAB9AALDH1A1NPC1
SCHEMBL6536547 0.78 SRD5A1 (0.50) MAPTCA12CA1CA2CA7
SCHEMBL23059138 0.76 MAPK14 (0.47) MAPTPRF1CA12CA1CA2
SCHEMBL11250033 0.76 MAPT (0.69) MAPTPRF1CA12CA1CA2
SCHEMBL10429668 0.76 SRD5A1 (0.61) MAPTCA12CA1CA2CA7
SCHEMBL205164 0.75 ROCK2 (0.52) ROCK2ALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL8881014 0.73 TBXA2R (0.44) MAPTPRF1RAB9AALDH1A1NPC1
SCHEMBL8137792 0.73 TBXA2R (0.44) MAPTPRF1RAB9AALDH1A1NPC1
SCHEMBL30838849 0.73 RAB9A (0.45) MAPTRAB9AALDH1A1ESR1ESR2
SCHEMBL3039890 0.73 PRF1 (0.70) MAPTPRF1CA12CA1CA2

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
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 — — EP disclosed
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