SCHEMBL6861581

SCHEMBL6861581

CC(=O)OC(I)CCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
CA1 P00915 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
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
SCHEMBL6663422 0.79
SCHEMBL14590461 0.76 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL21811641 0.76 ALDH1A1 (0.41) TSHRMAPTCA1ALDH1A1
SCHEMBL21811935 0.74 PRKCA (0.44) MAPTCA1ALDH1A1
SCHEMBL17484627 0.73
SCHEMBL21811764 0.73
SCHEMBL5744873 0.73 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6524619 0.73 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18091174 0.73 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL21811842 0.72 PRKCA (0.46) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833345-B2 Removal paints HUNTSMAN PETROCHEMICAL CORPORATION 2004-12-21 US disclosed
US-20020111284-A1 Degreasing compositions HUNTSMAN PETROCHEMICAL CORPORATION 2002-08-15 US disclosed