SCHEMBL820015

SCHEMBL820015

CCCCOC(=O)C1=CC=CC(C)CC1C(=O)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
ESR1 P03372 5/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.37
PDE4D Q08499 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
SCHEMBL818289 0.97 ALDH1A1 (0.41) L3MBTL1HPGDATMTSHRMAPK1
SCHEMBL818714 0.96 ALDH1A1 (0.43) TSHRMAPK1ALDH1A1KDM4ECYP3A4
SCHEMBL818501 0.92 ALDH1A1 (0.36) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL818635 0.80 ALDH1A1 (0.47) L3MBTL1ATMTSHRTDP1MAPK1
SCHEMBL818752 0.78 TSHR (0.40) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL819627 0.75 TSHR (0.42) TSHRMAPK1ALDH1A1KDM4ECYP3A4
SCHEMBL819131 0.74 ALDH1A1 (0.43) TSHRMAPK1ALDH1A1KDM4ECYP3A4
SCHEMBL2344344 0.74 TSHR (0.46) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL819497 0.73 TSHR (0.43) L3MBTL1TSHRTDP1MAPK1ALDH1A1
SCHEMBL818110 0.73 L3MBTL1 (0.41) L3MBTL1HPGDATMTSHRTDP1

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