SCHEMBL8907296

SCHEMBL8907296

CC(C)(C)c1cc2cccc(C(=O)O)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL10439641 0.85 MAOA (0.51) MAOAMEN1KMT2ANPC1RAB9A
SCHEMBL8907104 0.83 ALDH1A1 (0.44) CA12CA1CA3CA4CA6
SCHEMBL3306573 0.78 MAOA (0.50) MAOACA12CA1CA3CA4
SCHEMBL25094249 0.78 MAOA (0.47) MAOACA12CA1CA9CA2
SCHEMBL17724009 0.76 MAOA (0.51) MAOACA12CA1CA3CA4
SCHEMBL9550392 0.76 ERAP1 (0.35) CA12CA1CA3CA4CA6
SCHEMBL28190761 0.75 MAOA (0.50) MAOACA12CA1CA3CA4
SCHEMBL27974835 0.75 MAOA (0.50) MAOACA12CA1CA3CA4
SCHEMBL15828668 0.74 MEN1 (0.44) CA12CA1CA3CA4CA6
SCHEMBL12755277 0.74 MAOB (0.51) MAOAMEN1KMT2AMAOB

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