SCHEMBL6563421

SCHEMBL6563421

C/C=C/C/C(=C/CCCC)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
BACE1 P56817 1/20 0.32
EP300 Q09472 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TERT O14746 3/20 0.31
PTPN1 P18031 3/20 0.31
PPARG P37231 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
CYP1A2 P05177 2/20 0.31
MAPT P10636 2/20 0.31
CYP2C19 P33261 2/20 0.31
BLM P54132 2/20 0.31
HSD17B10 Q99714 2/20 0.31
FABP4 P15090 2/20 0.31
FAAH O00519 2/20 0.31
KMT2A Q03164 2/20 0.31
TOP1 P11387 2/20 0.31

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
SCHEMBL6563425 1.00 F7 (0.35) F7F3BACE1EP300TSHR
SCHEMBL73242 0.81 TSHR (0.41) F7F3BACE1EP300TSHR
SCHEMBL846671 0.78 TSHR (0.48) BACE1EP300TSHRALDH1A1
SCHEMBL846672 0.78 TSHR (0.48) BACE1EP300TSHRALDH1A1
SCHEMBL28199948 0.77 TSHR (0.33) TSHRALDH1A1
SCHEMBL28607868 0.76
SCHEMBL9314421 0.76 TERT (0.36) F7F3TERTPTPN1PPARG
SCHEMBL9314414 0.76 TERT (0.36) F7F3TERTPTPN1PPARG
SCHEMBL27343852 0.75 CES1 (0.36) F7F3ALDH1A1TERTPTPN1
SCHEMBL24012257 0.74 BACE1 (0.36) F7F3BACE1EP300TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033226-B1 Process for producing thermoplastic elastomer composition SUMITOMO CHEMICAL CO (JP) 2004-04-28 EP disclosed