SCHEMBL10765616

SCHEMBL10765616

C=CCOC(=O)C(=CCCCC)CC=C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 1/20 0.36
GRIK1 P39086 1/20 0.36
HPGD P15428 1/20 0.36
EP300 Q09472 1/20 0.33
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
FAAH O00519 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15303566 0.90 TSHR (0.41) TSHRGRIK1HPGDCYP3A4TDP1
SCHEMBL7549068 0.84 TSHR (0.50) TSHRALDH1A1GRIK1HPGDEP300
SCHEMBL9149500 0.80 TSHR (0.49) TSHRALDH1A1GRIK1HPGDEP300
SCHEMBL8971288 0.80 TSHR (0.49) TSHRALDH1A1GRIK1HPGDEP300
SCHEMBL10647880 0.78 TSHR (0.44) TSHRALDH1A1CYP3A4FAAH
SCHEMBL4791450 0.78 GRIK1 (0.53) TSHRALDH1A1GRIK1EP300FAAH
SCHEMBL211113 0.78 CYP3A4 (0.39) TSHRALDH1A1CYP3A4TDP1
SCHEMBL10901744 0.77 TSHR (0.39) TSHRALDH1A1CYP3A4TDP1
SCHEMBL325189 0.75 TSHR (0.51) TSHRALDH1A1HPGDEP300FAAH
SCHEMBL8690100 0.75 TSHR (0.51) TSHRALDH1A1HPGDEP300FAAH

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
EP-0122788-B1 SELF-LEVELING POLISH COMPOSITIONS AND POLYMER COMPOSITIONS USEFUL THEREIN ROHM AND HAAS COMPANY (US) 1987-09-23 EP disclosed
EP-0122788-A2 Self-leveling polish compositions and polymer compositions useful therein ROHM AND HAAS COMPANY (US) 1984-10-24 EP disclosed
US-4460734-A ETHYLENE OXIDE FATTY ALCOHOL ADDUCT, ADDITION POLYMER ROHM AND HAAS COMPANY (US) 1984-07-17 US disclosed