SCHEMBL4742971

SCHEMBL4742971

C=C(CCCCCC)C(=O)O.C=CCC(=C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.46
▸ FAAH O00519 1/20 0.46
▸ FNTA P49354 2/20 0.46
▸ FNTB P49356 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ PGGT1B P53609 1/20 0.46
▸ GPR84 Q9NQS5 7/20 0.45
▸ PPARG P37231 7/20 0.45
▸ PPARD Q03181 7/20 0.45
▸ PPARA Q07869 7/20 0.45
▸ HDAC11 Q96DB2 5/20 0.45
▸ PTPN1 P18031 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TLR2 O60603 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ FABP4 P15090 2/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ESR1 P03372 1/20 0.45

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
SCHEMBL10614821 0.91 GPR84 (0.48) TSHRFAAHGPR84PPARGPPARD
SCHEMBL28483085 0.89 TSHR (0.49) TSHRFAAHFNTAFNTBTHRB
Propene SCHEMBL28362863 0.87 GPR84 (0.50) TSHRFAAHFNTAFNTBTHRB
SCHEMBL27052 0.87 GPR84 (0.58) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL5710548 0.87 GPR84 (0.58) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL7179029 0.87 GPR84 (0.58) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL7158121 0.87 GPR84 (0.58) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL3424245 0.87 GPR84 (0.58) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL5710638 0.87 GPR84 (0.58) TSHRFNTAFNTBTHRBPGGT1B
SCHEMBL19124533 0.87 GPR84 (0.58) TSHRFNTAFNTBTHRBPGGT1B

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-1771488-B1 LOW WATER-ABSORPTION PLASTISOL POLYMERS EVONIK ROEHM GMBH (DE) 2008-08-27 — — EP disclosed
EP-1771488-A1 LOW WATER-ABSORPTION PLASTISOL POLYMERS Röhm GmbH (DE) 2007-04-11 — — EP disclosed
WO-2006010465-A1 LOW WATER-ABSORPTION PLASTISOL POLYMERS RÖHM GMBH (DE) 2006-02-02 — — WO disclosed
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