SCHEMBL10944475

SCHEMBL10944475

CC(C)(O)C(=O)c1ccc2[nH]c3ccc(C(=O)C(C)(C)O)cc3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.46
▸ KIF11 P52732 3/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL10947121 0.97 KIF11 (0.46) IMPDH2KIF11NPC1RAB9AGABRA1
SCHEMBL10942326 0.93 IMPDH2 (0.56) IMPDH2KIF11NPC1RAB9AMEN1
SCHEMBL10942850 0.90 IMPDH2 (0.53) IMPDH2KIF11NPC1RAB9AMEN1
SCHEMBL10942675 0.83 KDM4E (0.43) IMPDH2KIF11NPC1RAB9AGABRA1
SCHEMBL10943903 0.83 IMPDH2 (0.43) IMPDH2KIF11NPC1RAB9AGABRA1
SCHEMBL10945260 0.80 KDM4E (0.43) IMPDH2KIF11NPC1RAB9AGABRA1
SCHEMBL10947835 0.80 KIF11 (0.43) IMPDH2KIF11NPC1RAB9AGABRA1
SCHEMBL10944270 0.79 GABRA1 (0.41) IMPDH2KIF11NPC1RAB9AGABRA1
SCHEMBL10944755 0.78 SMN1; SMN2 (0.49) IMPDH2KIF11NPC1RAB9AKMT2A
SCHEMBL10941059 0.77 ABCG2 (0.55) IMPDH2KIF11NPC1RAB9AMEN1

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-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 — — US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 — — US disclosed
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