SCHEMBL1730477

SCHEMBL1730477

CC1(c2ccccc2)OO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
PAX8 Q06710 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
SIRT1 Q96EB6 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 2/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34

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
SCHEMBL10642468 0.78 ALDH1A1 (0.38) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL24400590 0.78 ALDH1A1 (0.38) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL11001302 0.76 SIRT1 (0.43) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL1664714 0.76 TSHR (0.47) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL14182385 0.73 SLC6A4 (0.39) OPRM1SLC6A2SLC6A3
SCHEMBL4536773 0.73 SLC6A4 (0.39) OPRM1SLC6A2SLC6A3
SCHEMBL10590098 0.72 CYP3A4 (0.39) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL14306895 0.72 CYP1A2 (0.42) OPRM1OPRK1OPRL1CYP1A2CHRNB2
SCHEMBL873359 0.72 CHRNB2 (0.41) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL6572340 0.72 CYP3A4 (0.39) ALDH1A1LMNAGAAPAX8MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529326-A1 Process for the degradation of lignin by means of dioxiranes AUSIMONT S.p.A. (IT) 1993-03-03 EP claimed
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP claimed
EP-1378348-B1 Thermosensitive lithographic printing plate FUJIFILM CORP (JP) 2011-11-23 EP disclosed
CN-1409735-A Blockend polyisocyanates containing phenolic groups BAYER AG (US) 2003-04-09 CN disclosed
EP-0529326-A1 Process for the degradation of lignin by means of dioxiranes AUSIMONT S.p.A. (IT) 1993-03-03 EP disclosed
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP disclosed