SCHEMBL818845

SCHEMBL818845

CC1C=CC(C(=O)OCC(C)C)=C(C(=O)OCC(C)C)C=C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CACNA1F O60840 3/20 0.37
CACNA1D Q01668 3/20 0.37
CACNA1S Q13698 3/20 0.37
CACNA1C Q13936 3/20 0.37
P2RX4 Q99571 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL818676 0.79 LMNA (0.44) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL818057 0.77 ALDH1A1 (0.41) TSHRALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL817653 0.76 TSHR (0.55) TSHRALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL818618 0.76 ALDH1A1 (0.47) TSHRALDH1A1RAB9AMAPTHTT
SCHEMBL817610 0.76 TSHR (0.40) TSHRALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL818936 0.76 ALDH1A1 (0.58) TSHRALDH1A1TDP1ATM
SCHEMBL818551 0.76 KDM4E (0.43) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL819205 0.70 ALDH1A1 (0.47) TSHRALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL816941 0.69 ALDH1A1 (0.43) TSHRALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL13517643 0.69 ALDH1A1 (0.50) TSHRALDH1A1CACNA1FCACNA1DCACNA1S

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-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed