SCHEMBL10943799

SCHEMBL10943799

CCC(O)(CC)C(=O)c1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 2/20 0.45
▸ HPGD P15428 3/20 0.42
▸ HCRTR1 O43613 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 2/20 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
SCHEMBL10941466 0.97 CYP1A2 (0.45) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL10943742 0.93 CYP1A2 (0.38) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL10945463 0.85 ALDH1A1 (0.51) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL10947106 0.83 CYP1A2 (0.35) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL10943883 0.82 MAPT (0.48) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL10943663 0.81 KDM4E (0.54) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL10942892 0.79 ALDH1A1 (0.48) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL10943152 0.79 MAPT (0.55) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL1614835 0.79 KDM4E (0.57) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL29501103 0.77 ALDH1A1 (0.58) MAPTALDH1A1NPC1RAB9AKDM4E

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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