SCHEMBL11097358

SCHEMBL11097358

O=C(c1ccc(I)cc1)c1cc2ccccc2oc1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
CA1 P00915 1/20 0.60
CA3 P07451 1/20 0.60
TSHR P16473 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
GPR35 Q9HC97 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
PPARG P37231 2/20 0.60
PPARA Q07869 2/20 0.60
KDM4E B2RXH2 4/20 0.59
CYP1A2 P05177 1/20 0.59
NT5E P21589 1/20 0.59
MAOA P21397 5/20 0.58
ALDH1A1 P00352 4/20 0.58

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
SCHEMBL51507 0.88 MAOB (0.73) MAOBCA12CA9CA1CA3
SCHEMBL6881825 0.87 MAOB (0.72) MAOBCA12CA9CA1CA3
SCHEMBL28014855 0.85 ALDH1A1 (0.67) MAOBCA12CA9CA1CA3
SCHEMBL29539474 0.84 MAOB (0.77) MAOBCA12CA9CA1CA3
SCHEMBL279860 0.84 MAOB (0.77) MAOBCA12CA9CA1CA3
SCHEMBL5562065 0.84 MAOB (0.68) MAOBCA12CA9CA1CA3
SCHEMBL18188888 0.84 MAOB (0.62) MAOBCA12CA9CA1CA3
SCHEMBL2985343 0.83 PPARG (0.58) MAOBCA12CA9CA1CA3
SCHEMBL5996884 0.82 MAOB (0.66) MAOBCA12CA9CA1CA3
SCHEMBL11097437 0.82 MAOB (0.60) MAOBCA12CA9CA1CA3

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-0022188-B1 CO-INITIATOR COMPOSITIONS FOR PHOTOPOLYMERIZATION CONTAINING 3-ACYL-SUBSTITUTED COUMARINS, PHOTOPOLYMERIZABLE COMPOSITION AND PHOTOGRAPHIC ELEMENT EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-10-03 EP claimed