SCHEMBL25851069

SCHEMBL25851069

C=C(C#N)C(=O)OCC(C)(CC)CC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL9311902 0.86 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL11801855 0.86 ALDH1A1 (0.56) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL25850038 0.84 ALDH1A1 (0.55) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL20624823 0.84 ALDH1A1 (0.63) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL15762884 0.83 ALDH1A1 (0.62) ALDH1A1TSHRCYP2C9
SCHEMBL1274650 0.83 ALDH1A1 (0.62) ALDH1A1TSHRCYP2C9KMT2A
SCHEMBL4579850 0.79 ALDH1A1 (0.61) ALDH1A1TSHR
SCHEMBL18923988 0.77 ALDH1A1 (0.55) ALDH1A1TSHR
SCHEMBL4887795 0.77 THRB (0.47) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL29445 0.77

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-4206185-A1 NOVEL CYANOACRYLATE DERIVATIVE AND COMPOSITION FOR EMBOLIC MATERIAL CONTAINING SAME Seoul National University R & DB Foundation (KR) 2023-07-05 EP disclosed