SCHEMBL10944841

SCHEMBL10944841

COC(C)(C)C(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.56
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
ATM Q13315 2/20 0.51
PTPRC P08575 5/20 0.50
S100A4 P26447 1/20 0.49
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
PLA2G1B P04054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
MAPT P10636 3/20 0.45

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
SCHEMBL10947108 0.98 TTR (0.54) TTRNPC1RAB9AATMPTPRC
SCHEMBL10941912 0.98 TTR (0.54) TTRNPC1RAB9AATMPTPRC
SCHEMBL10946173 0.84 TTR (0.51) TTRNPC1RAB9AATMPTPRC
SCHEMBL10942187 0.83 MAOA (0.47) TTRNPC1RAB9AATMALDH1A1
SCHEMBL10942389 0.83 SRD5A1 (0.51) NPC1RAB9AALDH1A1L3MBTL1HPGD
SCHEMBL10947573 0.82 TTR (0.50) TTRNPC1RAB9AATMPTPRC
SCHEMBL10947811 0.82 NPC1 (0.50) TTRNPC1RAB9AATMPTPRC
SCHEMBL10941789 0.82 TTR (0.61) TTRNPC1RAB9AATMPTPRC
SCHEMBL10943587 0.81 TTR (0.59) TTRNPC1RAB9AATMPTPRC
SCHEMBL10946623 0.81 TTR (0.59) TTRNPC1RAB9AATMPTPRC

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