SCHEMBL6203944

SCHEMBL6203944

O=C(c1ccccc1)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.65
PTPN1 P18031 12/20 0.64
MDM2 Q00987 1/20 0.63
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53
PAX8 Q06710 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN2 P17706 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
UBE2N P61088 1/20 0.51
CHRM1 P11229 1/20 0.51

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
SCHEMBL27608839 0.88 PTPN1 (0.57) EPHX1PTPN1MDM2ALDH1A1PTPN2
SCHEMBL6203634 0.88 NTSR1 (0.57) EPHX1PTPN1MDM2L3MBTL1LMNA
SCHEMBL29240046 0.87 PTPN1 (0.59) EPHX1PTPN1MDM2LMNAHSD17B10
SCHEMBL29240033 0.84 PTPN1 (0.67) EPHX1PTPN1PTPN2
SCHEMBL547425 0.84 PTPN1 (0.56) EPHX1PTPN1MDM2LMNAHSD17B10
SCHEMBL2922282 0.84 MITF (0.59) PTPN1L3MBTL1LMNAMITFALDH1A1
SCHEMBL27628032 0.84 CHRM1 (0.60) EPHX1PTPN1TDP1LMNAHTT
SCHEMBL27683344 0.84 PTPN1 (0.50) EPHX1PTPN1MDM2MITFALDH1A1
SCHEMBL6327117 0.83 PTPN1 (0.55) PTPN1L3MBTL1LMNAHSD17B10ALDH1A1
SCHEMBL67234 0.82 EPHX1 (0.71) EPHX1UBE2NCHRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107903158-B Synthesis method of 1,2, 3-triphenylpropyl-1-ketone 郑州大学 2020-07-31 CN claimed
CN-107903158-B Synthesis method of 1,2, 3-triphenylpropyl-1-ketone 郑州大学 2020-07-31 CN disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
EP-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP disclosed
US-6174874-B1 ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE MERCK FROSST CANADA & CO. (CA) 2001-01-16 US disclosed