SCHEMBL4644768

SCHEMBL4644768

[CH2]CC(=O)OC(=O)C(Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
AKR1B1 P15121 1/20 0.35
SRC P12931 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4645788 0.84 PRSS1 (0.38) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL7106510 0.83 KMT2A (0.47) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL4645901 0.82 CHRM1 (0.47) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL4642041 0.80 KMT2A (0.41) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL29819688 0.77 CHRM1 (0.49) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL9051580 0.77 KMT2A (0.45) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL4642047 0.77 KMT2A (0.46) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL15514394 0.76 KMT2A (0.44) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL16904038 0.74 CYP2D6 (0.43) CYP2D6CYP1A2SMN1; SMN2PKMNPSR1
SCHEMBL7798230 0.73 KLK7 (0.54) SMN1; SMN2KMT2AALDH1A1

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