SCHEMBL4729697

SCHEMBL4729697

CCCCOOCC(C)(C)/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.37
ATM Q13315 1/20 0.33
RXRA P19793 2/20 0.33
PPARG P37231 2/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4733462 0.95 HCAR2 (0.38) HCAR2TSHRALDH1A1
SCHEMBL475085 0.78 ALDH1A1 (0.39) HCAR2ATMHPGDTSHRALDH1A1
SCHEMBL4732012 0.77 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL10481805 0.76 ACLY (0.36) HCAR2
SCHEMBL5005106 0.76
SCHEMBL466288 0.73 NAAA (0.38) HCAR2TSHRALDH1A1
SCHEMBL3624695 0.72 RIPK1 (0.34) TSHR
SCHEMBL3624694 0.72 RIPK1 (0.34) TSHR
SCHEMBL1581516 0.71 NAAA (0.41) HCAR2PPARGTSHRALDH1A1
SCHEMBL4729700 0.71 HCAR2 (0.36) HCAR2ATMRXRAPPARGHPGD

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
WO-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO claimed
EP-0785957-B1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM DOW CHEMICAL CO (US) 1998-05-20 EP disclosed