SCHEMBL1779205

SCHEMBL1779205

C=CCC(CC=C)Oc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
PPARA Q07869 3/20 0.44
KDM4E B2RXH2 3/20 0.43
AGXT P21549 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
PTPN7 P35236 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
ALOX5 P09917 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL1778182 0.79 CYP2C19 (0.41) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL1779642 0.75 SLC1A3 (0.47) CYP1A2CYP2A6ALOX5SLC6A2SLC6A4
SCHEMBL28927516 0.72 PPARG (0.45) PPARGPPARAKDM4EAGXTCYP1A2
SCHEMBL16863705 0.72 ESR1 (0.39) CYP1A2MEN1KMT2AALDH1A1HTT
SCHEMBL30541768 0.72 CA12 (0.57) KDM4EAGXTCYP1A2CYP2A6PTPN7
SCHEMBL470906 0.72 CA12 (0.57) KDM4EAGXTCYP1A2CYP2A6PTPN7
SCHEMBL10514058 0.71 CYP2C19 (0.40) PPARGPPARAKDM4ETDP1MEN1
SCHEMBL5481622 0.71 PPARG (0.57) PPARGPPARAKDM4EAGXTCYP1A2
SCHEMBL5479117 0.71 PPARG (0.57) PPARGPPARAKDM4EAGXTCYP1A2
SCHEMBL2256256 0.69 CYP2A6 (0.54) PPARGPPARAKDM4EAGXTCYP1A2

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
US-7943715-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20080221286-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed