SCHEMBL9149153

SCHEMBL9149153

COC(=O)c1ccc(C(O)c2cccc(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
KDM5A P29375 1/20 0.49
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
CA7 P43166 1/20 0.43
OPRD1 P41143 1/20 0.43
GPR17 Q13304 1/20 0.43
RAB9A P51151 1/20 0.43
LOXL2 Q9Y4K0 1/20 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
SCHEMBL3340741 0.89 GPR17 (0.50) TDP1KDM5ATSHRALDH1A1MAPT
SCHEMBL3636710 0.85 TDP1 (0.51) TDP1CA1CA2CA12CA9
SCHEMBL30251598 0.84 TSHR (0.64) TDP1CA1CA2CA12CA9
SCHEMBL866718 0.84 TSHR (0.64) TDP1CA1CA2CA12CA9
SCHEMBL8993223 0.84 NPC1 (0.55) TDP1CA1CA2CA12CA9
SCHEMBL8993085 0.84 ADRB3 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL4408604 0.83 CA1 (0.66) TDP1CA1CA2CA12CA9
SCHEMBL1500606 0.80 CA12 (0.47) CA1CA2CA12CA9CA14
SCHEMBL3340488 0.80 TSHR (0.58) CA1CA2CA9TSHRALDH1A1
SCHEMBL7475779 0.79 ATM (0.58) TDP1CA1CA2CA12CA9

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-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed