SCHEMBL1779642

SCHEMBL1779642

C=CCC(CC=C)OCc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40
HTR4 Q13639 1/20 0.40
KCNH2 Q12809 2/20 0.38
ALOX5 P09917 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TEAD4 Q15561 1/20 0.38

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
SCHEMBL1776277 0.79 SMN1; SMN2 (0.43) SLC1A3SLC1A2SLC1A1CYP1A2SLC6A2
SCHEMBL2622864 0.75 MAOB (0.37)
SCHEMBL1779205 0.75 PPARG (0.44) CYP1A2CYP2A6SLC6A2SLC6A4ALOX5
SCHEMBL28025079 0.75 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL18936038 0.75 RAB9A (0.47) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL10819590 0.74 HTR2A (0.55) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL9176274 0.74 RAB9A (0.50) SLC1A3SLC1A2SLC1A1RAB9ACYP1A2
SCHEMBL9577155 0.73 SMN1; SMN2 (0.41) SLC1A3SLC1A2SLC1A1CYP1A2SLC6A2
SCHEMBL9497399 0.73 SMN1; SMN2 (0.41) SLC1A3SLC1A2SLC1A1CYP1A2SLC6A2
SCHEMBL31195248 0.71 CYP1A2 (0.54) RAB9ACYP1A2CYP2A6HTR2AHTR2C

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