SCHEMBL18897604

SCHEMBL18897604

C=CC/C(=C\C)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
PGGT1B P53609 1/20 0.46
KMT2A Q03164 3/20 0.43
SQLE Q14534 4/20 0.42
ALOX15 P16050 4/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
UGT1A1 P22309 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL61693 1.00 TSHR (0.54) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL61692 1.00 TSHR (0.54) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL3671531 0.92 FNTA (0.60) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL3671529 0.92 FNTA (0.60) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL21773138 0.91 TSHR (0.46) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL21773141 0.91 TSHR (0.46) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL21753866 0.89 FNTA (0.54) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL21753868 0.89 FNTA (0.54) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL3671636 0.88 TSHR (0.45) TSHRFNTAFNTBPGGT1BKMT2A
SCHEMBL3671637 0.88 TSHR (0.45) TSHRFNTAFNTBPGGT1BKMT2A

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
US-9663440-B2 Cross metathesis of poly-branched poly-olefins MATERIA, INC. (US) 2017-05-30 US disclosed