SCHEMBL10642249

SCHEMBL10642249

CSCCC(OC(C)=O)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.43
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
FOLH1 Q04609 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
GAA P10253 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL10782810 0.80 TSHR (0.50) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL18251760 0.78 RNPEP (0.41) RNPEPTSHRALDH1A1CHRM2CHRM4
SCHEMBL421635 0.78 TRPV1 (0.39) RNPEPTSHRALDH1A1CHRM2CHRM4
SCHEMBL2820915 0.77 RNPEP (0.48) RNPEPTSHRALDH1A1CHRM2CHRM4
SCHEMBL9332345 0.77 RNPEP (0.48) RNPEPTSHRALDH1A1CHRM2CHRM4
SCHEMBL2820920 0.77 RNPEP (0.48) RNPEPTSHRALDH1A1CHRM2CHRM4
SCHEMBL2230506 0.75 TSHR (0.46) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL23069667 0.75 RNPEP (0.38) RNPEPTSHRALDH1A1CHRM2CHRM4
SCHEMBL11194246 0.75 RNPEP (0.38) RNPEPTSHRALDH1A1CHRM2CHRM4
SCHEMBL9194615 0.75 RNPEP (0.38) RNPEPTSHRALDH1A1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4782173-A ANIMAL FEEDS THE STANDARD OIL COMPANY (US) 1988-11-01 US disclosed
EP-0133796-B1 PROCESS FOR PREPARATION OF METHIONINE HYDROXY ANALOG OR DERIVATIVE AND ESTERS THEREOF, AND FOR THE PREPARATION OF 1-ACYLOXY-3-HYDROCARBYL THIOPROPENES THE STANDARD OIL COMPANY (US) 1987-03-04 EP disclosed
EP-0133796-A1 Process for preparation of methionine hydroxy analog or derivative and esters thereof, and for the preparation of 1-acyloxy-3-hydrocarbyl thiopropenes THE STANDARD OIL COMPANY (US) 1985-03-06 EP disclosed