SCHEMBL3355858

SCHEMBL3355858

O=C(O)C(Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.88
CYP1A2 P05177 1/20 0.57
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CPA3 P15088 3/20 0.50
CPA1 P15085 2/20 0.50
CTNNB1 P35222 1/20 0.50
FOLH1 Q04609 1/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL7037701 1.00 MDM2 (0.88) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL11713368 0.94 MDM2 (1.00) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL7164412 0.88 MDM2 (0.81) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL6990936 0.88 MDM2 (0.81) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL6990929 0.88 MDM2 (0.81) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL4360073 0.87 MDM2 (0.68) MDM2L3MBTL1MAPTMEN1KMT2A
SCHEMBL6990924 0.86 MDM2 (0.79) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL7164409 0.86 MDM2 (0.79) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL2138695 0.86 MDM2 (0.79) MDM2CYP1A2ALPIPKMPTGS1
SCHEMBL9242408 0.86 MDM2 (0.79) MDM2CYP1A2ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2289536-A None JP disclosed
CN-104945294-B Compound containing trifluoromethylthio and preparation method thereof 中国科学院上海有机化学研究所 2016-09-07 CN disclosed
CN-104945294-A Compound containing trifluoromethylthio group and preparation method thereof SHANGHAI INST ORGANIC CHEM 2015-09-30 CN disclosed
CN-101679829-B Photocurable Adhesive Composition SEKISUI CHEMICAL CO LTD 2013-10-30 CN disclosed
JP-2010215862-A POSTCURE TAPE SEKISUI CHEM CO LTD 2010-09-30 JP disclosed
CN-101679829-A Photocurable adhesive composition SEKISUI CHEMICAL CO LTD 2010-03-24 CN disclosed
JP-H02289536-A METHOD FOR OPTICALLY RESOLVING (+-)-2-(3-BENZOYL) PHENYLPROPIONIC ACID NISSAN CHEM IND LTD 1990-11-29 JP disclosed
US-4055678-A Sweetener derivatives DYNAPOL (US) 1977-10-25 US disclosed
US-3976687-A Sweetener derivatives DYNAPOL (US) 1976-08-24 US disclosed