SCHEMBL818995

SCHEMBL818995

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ESR1 P03372 7/20 0.39
LMNA P02545 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
MAPK1 P28482 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
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4D Q08499 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL818880 0.96 TSHR (0.42) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL818426 0.95 ALDH1A1 (0.43) TSHRESR1LMNAMAPK1CYP3A4
SCHEMBL819412 0.92 ALDH1A1 (0.38) TSHRTDP1ESR1LMNAMAPK1
SCHEMBL818502 0.86 KDM4E (0.39) TSHRTDP1ESR1LMNANR1H2
SCHEMBL818317 0.82 ALDH1A1 (0.49) TSHRTDP1L3MBTL1LMNAMAPK1
SCHEMBL818256 0.80 TSHR (0.42) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL817610 0.80 TSHR (0.40) TSHRLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL21950903 0.79 TSHR (0.49) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL817155 0.78 TSHR (0.44) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL817270 0.76 TSHR (0.50) TSHRTDP1L3MBTL1ESR1LMNA

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