SCHEMBL2938726

SCHEMBL2938726

C=CCc1ccc(OB(O)O)c(CC=C)c1CC=C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SRD5A1 P18405 1/20 0.34
GABRA1 P14867 6/20 0.33
GABRB2 P47870 6/20 0.33
ALOX5 P09917 4/20 0.33
ELANE P08246 2/20 0.32
PTGS1 P23219 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CNR2 P34972 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 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
SCHEMBL2938725 0.86 GABRA1 (0.36) PTGDRPTGDR2SRD5A1GABRA1GABRB2
SCHEMBL728363 0.81 ALDH1A1 (0.37) PTGDRPTGDR2SRD5A1GABRA1GABRB2
SCHEMBL1918099 0.77 GABRA1 (0.43) SRD5A1GABRA1GABRB2ALOX5ALDH1A1
SCHEMBL1276594 0.76 PTGDR (0.34) PTGDRPTGDR2SRD5A1GABRA1GABRB2
SCHEMBL3022769 0.76 PTGDR (0.35) PTGDRPTGDR2GABRA1GABRB2POLB
SCHEMBL3015467 0.76 CYP3A4 (0.31) GABRA1GABRB2POLB
SCHEMBL1488130 0.75 ALDH1A1 (0.47) GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL3470540 0.75 ALDH1A1 (0.33) PTGDRPTGDR2SRD5A1GABRA1GABRB2
SCHEMBL5690512 0.75 PTGDR (0.36) PTGDRPTGDR2SRD5A1GABRA1GABRB2
SCHEMBL5690510 0.74 ALDH1A1 (0.38) PTGDRPTGDR2SRD5A1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9263604-A None JP disclosed
EP-2226060-B1 CEMENT FOR DENTAL APPLICATIONS KURARAY NORITAKE DENTAL INC (JP) 2020-03-04 EP disclosed
US-8552088-B2 Cement for dental applications KURARAY NORITAKE DENTAL INC. (JP) 2013-10-08 US disclosed
US-20100267856-A1 CEMENT FOR DENTAL APPLICATIONS KURARAY MEDICAL INC. (JP) 2010-10-21 US disclosed
EP-2226060-A1 CEMENT FOR DENTAL APPLICATIONS Kuraray Medical Inc. (JP) 2010-09-08 EP disclosed
JP-H09263604-A PHOTOPOLYMERIZATION INITIATOR FOR ADHESIVE AND PHOTOPOLYMERIZABLE ADHESIVE TOKUYAMA CORP 1997-10-07 JP disclosed