SCHEMBL664291

SCHEMBL664291

C=C(C)C(=O)OCCCC.C=C(CCCCC)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
THRB P10828 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
DGKA P23743 1/20 0.41
HPGD P15428 1/20 0.40
AKR1B1 P15121 1/20 0.38
ATM Q13315 1/20 0.38
PAM P19021 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
GPR84 Q9NQS5 3/20 0.37

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
SCHEMBL1512983 0.95 TSHR (0.75) TSHRTHRBTDP1POLBAPEX1
SCHEMBL35936 0.95 TSHR (0.75) TSHRTHRBTDP1POLBAPEX1
SCHEMBL31389037 0.95 TSHR (0.75) TSHRTHRBTDP1POLBAPEX1
SCHEMBL8845137 0.95 TSHR (0.75) TSHRTHRBTDP1POLBAPEX1
SCHEMBL8844654 0.95 TSHR (0.75) TSHRTHRBTDP1POLBAPEX1
SCHEMBL9420975 0.95 TSHR (0.64) TSHRTHRBTDP1POLBAPEX1
SCHEMBL8846029 0.90 TSHR (0.59) TSHRTHRBTDP1POLBAPEX1
SCHEMBL3392238 0.89 TSHR (0.54) TSHRTHRBTDP1ALDH1A1FNTA
SCHEMBL6547122 0.88 TSHR (0.56) TSHRTHRBTDP1POLBAPEX1
SCHEMBL3863278 0.87 TSHR (0.55) TSHRTHRBTDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045485-A1 SUSTAINED RELEASE DOSAGE FORM DOW GLOBAL TECHNOLOGIES INC. (US) 2012-02-23 US disclosed