SCHEMBL4644724

SCHEMBL4644724

[CH2]C(=O)OC(=O)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MIF P14174 1/20 0.33
LMNA P02545 1/20 0.33
TET2 Q6N021 1/20 0.32
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL385886 0.84 ALDH1A1 (0.41) CYP2D6TSHRCYP2C19HIF1AMIF
SCHEMBL4644220 0.78 ALDH1A1 (0.33) MIFLMNA
SCHEMBL182236 0.77 ALDH1A1 (0.42) CYP2C19HIF1AMIFLMNANPC1
SCHEMBL2182293 0.77 ALDH1A1 (0.45) TSHRMIFLMNANPC1TP53
SCHEMBL27475793 0.77 HMGCR (0.36) CYP2D6TSHRCYP2C19HIF1AMIF
SCHEMBL7905388 0.75 MIF (0.33) MIFLMNANPC1TP53RAB9A
SCHEMBL7500157 0.75 MIF (0.37) MIFLMNANPC1TP53RAB9A
SCHEMBL26334814 0.75 LMNA (0.40) MIFLMNANPC1TP53RAB9A
SCHEMBL28136372 0.75 ALDH1A1 (0.41) TSHRMIFLMNA
SCHEMBL4646875 0.75 ALDH1A1 (0.41) MIFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed