SCHEMBL4729700

SCHEMBL4729700

CCCCOOOC(=O)C(=CC(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.36
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RXRA P19793 1/20 0.30
PPARG P37231 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
SCHEMBL4733464 0.95 HCAR2 (0.37) HCAR2TSHR
SCHEMBL4734884 0.78 HCAR2 (0.38) HCAR2ATMHPGDTSHRALDH1A1
SCHEMBL7161015 0.76
SCHEMBL3751709 0.76 ALDH1A1 (0.44) HCAR2ATMHPGDTSHRALDH1A1
SCHEMBL4731687 0.76 HCAR2 (0.36) HCAR2ATMHPGDTSHRALDH1A1
SCHEMBL5005110 0.75
SCHEMBL3751712 0.75 ALDH1A1 (0.40) HCAR2ATMHPGDTSHRALDH1A1
SCHEMBL4732018 0.74 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL2331222 0.73 ALDH1A1 (0.39) HCAR2ATMHPGDTSHRALDH1A1
SCHEMBL4732199 0.72 PLA2G4A (0.41) TSHRALDH1A1

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