SCHEMBL8908339

SCHEMBL8908339

COC(=O)c1cccc(CBr)c1C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA5A P35218 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 3/20 0.39
CFTR P13569 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL1424324 0.86 ALDH1A1 (0.53) ALDH1A1LMNACA1CA2CA9
SCHEMBL8384755 0.83 ALDH1A1 (0.50) ALDH1A1LMNACA1CA2CA9
SCHEMBL9544732 0.79 CA12 (0.55) ALDH1A1LMNACA1CA2CA9
SCHEMBL8907310 0.78 CA1 (0.46) ALDH1A1LMNACA1CA2CA9
SCHEMBL104703 0.77 ALDH1A1 (0.67) ALDH1A1LMNACA1CA2CA9
SCHEMBL30945155 0.77 ALDH1A1 (0.67) ALDH1A1LMNACA1CA2CA9
SCHEMBL5839700 0.76 ALDH1A1 (0.53) ALDH1A1LMNACA1CA2CA9
SCHEMBL20377207 0.76 ALDH1A1 (0.53) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL1760164 0.76 ALDH1A1 (0.53) ALDH1A1LMNACA1CA2CA9
SCHEMBL6120117 0.75 ALDH1A1 (0.51) ALDH1A1LMNACA1CA2CA9

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
US-5658587-A TRANSDERMAL PATCH FLORA INC. (US) 1997-08-19 US disclosed
WO-1997014419-A1 TRANSDERMAL DELIVERY OF ALPHA ADRENOCEPTOR BLOCKING AGENTS FLORA INC. (US) 1997-04-24 WO disclosed