SCHEMBL818110

SCHEMBL818110

CCCCOC(=O)C1=CC=C(C)CCC1C(=O)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 5/20 0.40
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 5/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 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 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL817755 0.97 TSHR (0.42) L3MBTL1HPGDATMTSHRESR1
SCHEMBL817763 0.96 ALDH1A1 (0.43) TSHRESR1MAPK1CYP3A4TP53
SCHEMBL818890 0.92 ALDH1A1 (0.37) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL819433 0.85 GAA (0.40) L3MBTL1HPGDTSHRLMNAALDH1A1
SCHEMBL819727 0.81 ALDH1A1 (0.49) L3MBTL1ATMTSHRTDP1MAPK1
SCHEMBL818752 0.79 TSHR (0.40) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL817269 0.77 ALDH1A1 (0.39) TSHRTP53ALDH1A1SMN1; SMN2KDM4E
SCHEMBL819627 0.76 TSHR (0.42) TSHRESR1MAPK1CYP3A4TP53
SCHEMBL30483867 0.76 L3MBTL1 (0.42) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL819131 0.75 ALDH1A1 (0.43) TSHRESR1MAPK1CYP3A4TP53

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