SCHEMBL14345883

SCHEMBL14345883

CCCCOC(=O)/C(C#N)=C\O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.47
ATM Q13315 1/20 0.46
CYP2C9 P11712 2/20 0.45
TSHR P16473 3/20 0.43
HPGD P15428 1/20 0.43
DNM1 Q05193 3/20 0.42
HCAR2 Q8TDS4 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL14156080 1.00 ALDH1A1 (0.48) ALDH1A1TP53ATMCYP2C9TSHR
SCHEMBL14346232 0.93 TSHR (0.50) ALDH1A1TP53ATMCYP2C9TSHR
SCHEMBL14518010 0.93 TSHR (0.50) ALDH1A1TP53ATMCYP2C9TSHR
SCHEMBL13992591 0.93 TSHR (0.50) ALDH1A1TP53ATMCYP2C9TSHR
SCHEMBL7743874 0.89 TP53 (0.49) ALDH1A1TP53ATMCYP2C9TSHR
SCHEMBL7547816 0.89 TP53 (0.49) ALDH1A1TP53ATMCYP2C9TSHR
SCHEMBL14157943 0.89 DNM1 (0.50) ALDH1A1TP53CYP2C9TSHRDNM1
SCHEMBL7545543 0.84 TP53 (0.46) ALDH1A1TP53ATMCYP2C9TSHR
SCHEMBL7545535 0.84 TP53 (0.46) ALDH1A1TP53ATMCYP2C9TSHR
SCHEMBL7737783 0.84 TP53 (0.46) ALDH1A1TP53ATMCYP2C9TSHR

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
WO-2007149326-A2 THERMALLY DEVELOPABLE MATERIALS STABILIZED WITH CROWN ETHERS CARESTREAM HEALTH, INC. (US) 2007-12-27 WO disclosed
US-7267935-B1 Thermally developable materials stabilized with crown ethers CARESTREAM HEALTH, INC. (US) 2007-09-11 US disclosed