SCHEMBL10941916

SCHEMBL10941916

COC(C)(C)C(=O)C1=CC=C2C(=Cc3ccccc32)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 3/20 0.35
▸ CDC25A P30304 2/20 0.35
▸ PTPRC P08575 1/20 0.32
▸ PTPRF P10586 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAP2K7 O14733 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL10947815 0.87 CDC25A (0.32) CDC25BCDC25A
SCHEMBL10943592 0.86 CDC25A (0.36) CDC25BCDC25APTPN1ALDH1A1
SCHEMBL9680503 0.83 CDC25A (0.34) CDC25BCDC25AALDH1A1MAPT
SCHEMBL10945776 0.80 CDC25A (0.34) CDC25BCDC25AALDH1A1MAPTHPGD
SCHEMBL8014888 0.80 CDC25A (0.40) CDC25BCDC25AKDM4EALDH1A1LMNA
SCHEMBL9680423 0.79 CYP2B6 (0.35) CDC25BCDC25AALDH1A1LMNAPOLB
SCHEMBL604996 0.78 MAOA (0.39) CDC25BCDC25APTPRCPTPRFPTPN1
Anthraquinone SCHEMBL8529111 0.77 CDC25B (0.41) CDC25BCDC25AALDH1A1POLBMAPT
SCHEMBL9680480 0.77 ALDH1A1 (0.40) KDM4EALDH1A1LMNATP53POLB
SCHEMBL31536344 0.74 CDC25A (0.35) CDC25BCDC25AMAP2K7

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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