SCHEMBL8045780

SCHEMBL8045780

CC([O])c1cccc(OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.40
▸ ACHE P22303 3/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BCHE P06276 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ CASR P41180 2/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL13119204 0.85 KDM4E (0.46) PTGS1ACHEKIF11MEN1CYP2D6
SCHEMBL1047408 0.84 SLC6A4 (0.45) SLC6A4
SCHEMBL18356000 0.83 PTGS1 (0.38) PTGS1ACHEKIF11MEN1CYP2D6
SCHEMBL2031161 0.81 SLC6A2 (0.41) PTGS1ACHEKIF11ALOX5L3MBTL1
SCHEMBL6055145 0.81 UGT2B7 (0.44) PTGS1ACHEKIF11MEN1CYP2D6
SCHEMBL2031297 0.81 SLC6A2 (0.41) PTGS1ACHEKIF11ALOX5L3MBTL1
SCHEMBL2030537 0.81 SLC6A2 (0.41) PTGS1ACHEKIF11ALOX5L3MBTL1
SCHEMBL6055102 0.80 AOC3 (0.40) PTGS1ACHEKIF11MEN1CYP2D6
SCHEMBL18287934 0.79 AOC3 (0.39) PTGS1KIF11ALOX5L3MBTL1
SCHEMBL23185482 0.79 PTGS1 (0.35) PTGS1ACHEKIF11MEN1CYP2D6

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
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 — — US disclosed
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