SCHEMBL7699682

SCHEMBL7699682

CC(=O)OC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 1/20 0.61
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
LMNA P02545 1/20 0.56
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
TSHR P16473 1/20 0.54
SRD5A2 P31213 1/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 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
SCHEMBL6858979 0.91 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1MAPK1NPC1
Methyl 3,4-Methylenedioxybenzoate SCHEMBL133049 0.84 NPC1 (0.73) KMT2AMEN1ALDH1A1MAPK1NPC1
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.82 KDM4E (0.71) KMT2AMEN1ALDH1A1MAPK1NPC1
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.82 KDM4E (0.71) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL29394052 0.80 RAB9A (0.73) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL1640023 0.80 RAB9A (0.73) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL27451660 0.79 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL12930765 0.79 MEN1 (0.75) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL11257819 0.79 CTNNB1 (0.57) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL28220487 0.78 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993573-A Skin treatment system 美国帕拉福音有限公司 2022-01-28 CN disclosed
CN-108688118-B Method for producing a polymer tube filled with liquid and sealed at fixed intervals and device for producing said polymer tube 信越化学工业株式会社 2021-12-14 CN disclosed
CN-111565572-A Synergistic pesticidal compositions and methods for delivering active ingredients 0903608 B.C.有限公司 2020-08-21 CN disclosed
CN-111565571-A Synergistic pesticidal compositions and methods for delivery of active ingredients 0903608 B.C.有限公司 2020-08-21 CN disclosed
CN-109952201-A The polymer and its manufacturing method of the entrainment mineral of film coating CSP技术公司 2019-06-28 CN disclosed
CN-101808616-B Hair dye and hair dye composition HODOGAYA CHEMICAL CO LTD 2012-09-26 CN disclosed
CN-101808616-A Hair dye and hair dye composition HODOGAYA CHEMICAL CO LTD 2010-08-18 CN disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed