SCHEMBL10945556

SCHEMBL10945556

COC(C)(C)C(=O)c1ccc2sc3ccccc3c(=O)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ PTPN7 P35236 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ HPGD P15428 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 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
SCHEMBL10943152 0.97 MAPT (0.55) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10990724 0.86 MAPT (0.45) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10943883 0.85 MAPT (0.48) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10943678 0.84 MAPT (0.48) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10945463 0.82 ALDH1A1 (0.51) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10940409 0.82 ALDH1A1 (0.45) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10943663 0.81 KDM4E (0.54) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10941466 0.79 CYP1A2 (0.45) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10942892 0.79 ALDH1A1 (0.48) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10947281 0.78 PTPN7 (0.36) MAPTALDH1A1KDM4ENPC1RAB9A

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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