SCHEMBL817155

SCHEMBL817155

CCCCOC(=O)C1=C(C(=O)OCCCC)CC(C)CC=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 3/20 0.40
CYP3A4 P08684 3/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 7/20 0.39
LMNA P02545 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
CYP2C9 P11712 1/20 0.38
PDE4D Q08499 1/20 0.38
ATM Q13315 1/20 0.36
HPGD P15428 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
SCHEMBL817762 0.96 TSHR (0.46) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL817111 0.95 ALDH1A1 (0.47) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL818036 0.92 ALDH1A1 (0.41) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL816941 0.80 ALDH1A1 (0.43) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL818995 0.78 TSHR (0.41) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL9863042 0.77 TSHR (0.49) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL818541 0.75 NPSR1 (0.32) TSHRTDP1TP53ALDH1A1HSD17B10
SCHEMBL817516 0.75 TSHR (0.46) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL818880 0.75 TSHR (0.42) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL817659 0.75 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4

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