SCHEMBL817802

SCHEMBL817802

CCCOC(=O)C1=CC=C(C)CC=C1C(=O)OCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 4/20 0.40
ESR1 P03372 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ADORA2B P29275 1/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL817575 0.91 TSHR (0.45) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL818718 0.91 TSHR (0.47) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL818266 0.89 ALDH1A1 (0.49) ALDH1A1LMNATSHRESR1TP53
SCHEMBL818392 0.88 CA12 (0.42) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL819114 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTDP1ADORA2BKDM4E
SCHEMBL818751 0.78 PTPN1 (0.36) LMNATSHRTDP1CHRM1CYP3A4
SCHEMBL817791 0.77 ALDH1A1 (0.53) ALDH1A1LMNATSHRTDP1CYP3A4
SCHEMBL819220 0.74 ALDH1A1 (0.42) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL820004 0.74 ALDH1A1 (0.48) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL817720 0.73 CA12 (0.41) ALDH1A1LMNATDP1TP53CA12

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