SCHEMBL8907310

SCHEMBL8907310

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA5A P35218 1/20 0.46
NR4A2 P43354 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CFTR P13569 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
MYC P01106 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 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
SCHEMBL773429 0.84 CA1 (0.55) CA1CA2CA9CA5ANR4A2
SCHEMBL8156698 0.81 NR4A2 (0.49) CA1CA2CA9NR4A2LMNA
SCHEMBL13151930 0.80 L3MBTL1 (0.41) CA1CA2CA9TSHRALDH1A1
SCHEMBL12593308 0.79 CA1 (0.49) CA1CA2CA9CA5ANR4A2
SCHEMBL11101842 0.79 NR4A2 (0.47) CA1CA2CA9CA5ANR4A2
SCHEMBL5483197 0.79 CA1 (0.53) CA1CA2CA9CA5ALMNA
SCHEMBL8908339 0.78 ALDH1A1 (0.47) CA1CA2CA9CA5ALMNA
SCHEMBL20934286 0.78 NR4A2 (0.46) CA1CA2CA9CA5ANR4A2
SCHEMBL8925757 0.77 CA1 (0.58) CA1CA2CA9CA5ALMNA
SCHEMBL31345289 0.77 NR4A2 (0.45) CA1CA2CA9CA5ANR4A2

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