SCHEMBL14345854

SCHEMBL14345854

C#CCC(CCCC)COC(=O)/C(C#N)=C\O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP2C9 P11712 2/20 0.35
▸ CA2 P00918 2/20 0.34
▸ RECQL P46063 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL14156019 0.87 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL14157941 0.87 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL14345883 0.73 ALDH1A1 (0.48) ALDH1A1LMNATSHRCYP3A4TDP1
SCHEMBL14156080 0.73 ALDH1A1 (0.48) ALDH1A1LMNATSHRCYP3A4TDP1
SCHEMBL10644154 0.71 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL14518010 0.70 TSHR (0.50) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL14156030 0.70 CYP2C9 (0.42) ALDH1A1LMNATSHRTDP1CYP2C9
SCHEMBL13992591 0.70 TSHR (0.50) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL14346232 0.70 TSHR (0.50) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL28967079 0.70 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1TSHRCYP3A4

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
WO-2007149326-A2 THERMALLY DEVELOPABLE MATERIALS STABILIZED WITH CROWN ETHERS CARESTREAM HEALTH, INC. (US) 2007-12-27 — — WO disclosed
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