SCHEMBL7743742

SCHEMBL7743742

CCCCCCCCC(=S)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
FAAH O00519 2/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL10502706 1.00 DGKA (0.45) DGKACA12CA1CA2CA9
SCHEMBL10452190 1.00 DGKA (0.45) DGKACA12CA1CA2CA9
SCHEMBL7747713 1.00 DGKA (0.45) DGKACA12CA1CA2CA9
SCHEMBL10502988 1.00 DGKA (0.45) DGKACA12CA1CA2CA9
SCHEMBL11328950 1.00 DGKA (0.45) DGKACA12CA1CA2CA9
SCHEMBL10504384 1.00 DGKA (0.45) DGKACA12CA1CA2CA9
SCHEMBL6832101 1.00 DGKA (0.45) DGKACA12CA1CA2CA9
SCHEMBL8744937 0.98 CA12 (0.43) DGKACA12CA1CA2CA9
SCHEMBL10890938 0.90
SCHEMBL14341642 0.90 CA12 (0.46) DGKACA12CA1CA2CA9

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
CN-110903306-B Muscarinic receptor agonists 赫普泰雅治疗有限公司 2022-09-23 CN disclosed
US-6184180-B1 COMPRISES SUPPORT, REVERSIBLE HEAT-SENSITIVE RECORDING LAYER CONTAINING DYE PRECURSOR WHICH IS COLORLESS OR A PALE COLOR, COLOR DEVELOPER CAPABLE OF CAUSING REVERSIBLE CHANGE IN COLOR DENSITY OF DYE DUE TO DIFFERENCE IN COOLING RATE MITSUBISHI PAPER MILLS LIMITED (JP) 2001-02-06 US disclosed
EP-0166509-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-13 EP disclosed
US-4833135-A Antioestrogenic phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-23 US disclosed
EP-0166509-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP disclosed
US-4076639-A 6,9-DIAZA-6,9-DIALKYL-4,11-DITHIA-5,10-DITHIOTETRADECANEDIOIC ACID ESTERS MOBIL OIL CORPORATION (US) 1978-02-28 US disclosed