SCHEMBL4755469

SCHEMBL4755469

CCCC(C(=O)O)C(CCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL4755464 1.00 TDP1 (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15015759 1.00 TDP1 (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL19873006 0.92 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL234751 0.91 ALDH1A1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15015749 0.88 CA2 (0.45) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15015525 0.88 CA2 (0.45) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15015736 0.85 HDAC1 (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27958014 0.84 GPR84 (0.50) ALDH1A1GRIK1GRIK2
SCHEMBL14110749 0.83 TDP1 (0.60) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5031485 0.83 TDP1 (0.60) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3034535-B1 EPOXY RESIN CONTAINING SILICONE-MODIFIED EPOXY RESIN AND POLYVALENT CARBOXYLIC ACID COMPOUND, AND CURED PRODUCT THEREOF SHINETSU CHEMICAL CO (JP) 2018-02-14 EP disclosed
CN-102159596-B Solid catalyst component and catalyst for polymerization of olefins, and process for production of olefin polymers using same TOHO TITANIUM CO LTD 2014-05-07 CN disclosed
EP-2604634-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2013-06-19 EP disclosed
CN-102159596-A Solid catalyst component and catalyst for polymerization of olefins, and process for production of olefin polymers using same TOHO TITANIUM CO LTD 2011-08-17 CN disclosed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed