SCHEMBL9698334

SCHEMBL9698334

O=C(Cl)CCCCCN=C=S

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.54
NAAA Q02083 2/20 0.48
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 4/20 0.44
NFE2L2 Q16236 4/20 0.44
TRPA1 O75762 6/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
BACH1 O14867 1/20 0.42
MAFK O60675 1/20 0.42
EGFR P00533 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL11059153 0.81 ALDH1A1 (0.46) MIFALDH1A1TSHRTP53
SCHEMBL5420729 0.81 ALDH1A1 (0.46) MIFALDH1A1TSHRTP53
SCHEMBL9714485 0.81 ALDH1A1 (0.46) MIFALDH1A1TSHRTP53
SCHEMBL11059361 0.81 ALDH1A1 (0.46) MIFALDH1A1TSHRTP53
SCHEMBL10618530 0.81 ALDH1A1 (0.46) MIFALDH1A1TSHRTP53
SCHEMBL5246659 0.81 ALDH1A1 (0.46) MIFALDH1A1TSHRTP53
SCHEMBL11062914 0.81 ALDH1A1 (0.46) MIFALDH1A1TSHRTP53
SCHEMBL3117317 0.81 MIF (0.56) MIFNAAAGSK3BALDH1A1TSHR
SCHEMBL11063061 0.81 ALDH1A1 (0.46) MIFALDH1A1TSHRTP53
SCHEMBL1805417 0.81 MIF (0.56) MIFNAAAGSK3BALDH1A1TSHR

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
US-5106950-A Polypeptide-labeled analyte analog for carrying out an immunoassay BIOPHARMA S.A. (LU) 1992-04-21 US disclosed
US-4785080-A POLYPEPTIDES COVALENTYL LINKED TO ANALOG; HAVING CATALYTIC EFFECT ON SUBSTRATE CONVERSION TO REPORTER MOLECULE; IMMUNOASSAY BAKER INSTRUMENTS CORPORATION (US) 1988-11-15 US disclosed
EP-0062277-B1 A METHOD FOR CARRYING OUT NON-ISOTOPIC IMMUNOASSAYS, LABELED ANALYTES AND KITS FOR USE IN SUCH ASSAYS Baker Instruments Corporation (US) 1985-08-28 EP disclosed
US-4378428-A Method for carrying out non-isotopic immunoassays, labeled analytes and kits for use in such assays BAKER INSTRUMENTS CORPORATION (US) 1983-03-29 US disclosed
EP-0062277-A1 A method for carrying out non-isotopic immunoassays, labeled analytes and kits for use in such assays Baker Instruments Corporation (US) 1982-10-13 EP disclosed