SCHEMBL10010620

SCHEMBL10010620

CCCCCCCCCCC(C(=O)OCCCC)=C(CC)C(=O)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
NAAA Q02083 1/20 0.50
DGKA P23743 1/20 0.50
ALDH1A1 P00352 2/20 0.45
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX1 P07099 1/20 0.43
THRB P10828 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
ATM Q13315 1/20 0.42
DNM1 Q05193 1/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
GPR84 Q9NQS5 2/20 0.42
HDAC11 Q96DB2 2/20 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
SCHEMBL10011582 1.00 TSHR (0.50) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10011584 1.00 TSHR (0.50) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10011440 1.00 TSHR (0.50) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10010613 1.00 TSHR (0.50) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10011437 1.00 TSHR (0.50) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10009743 1.00 TSHR (0.50) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10009749 1.00 TSHR (0.50) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10010246 0.98 TSHR (0.47) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10010243 0.98 TSHR (0.47) TSHRNAAADGKAALDH1A1CES2
SCHEMBL10009320 0.96 NAAA (0.55) TSHRNAAADGKACES2CES1

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-20120172551-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-07-05 US disclosed