SCHEMBL4644017

SCHEMBL4644017

[CH2]CCCC(=O)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TDP1 Q9NUW8 5/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
CYP19A1 P11511 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HDAC3 O15379 1/20 0.32
MAPK1 P28482 1/20 0.32
ADRA1A P35348 1/20 0.32
HDAC4 P56524 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4643717 0.89 TDP1 (0.35) PRSS1PRSS2PRSS3TDP1CYP19A1
SCHEMBL4642474 0.84 MAPT (0.38) PRSS1PRSS2PRSS3TDP1KMT2A
SCHEMBL4645869 0.83 KMT2A (0.35) TDP1KMT2AL3MBTL1LMNAMAPT
SCHEMBL4642622 0.83 ALDH1A1 (0.37) TDP1KMT2AKDM4EMEN1RECQL
SCHEMBL28063157 0.83 KDM4E (0.50) TDP1KMT2AKDM4EMEN1RECQL
SCHEMBL4644427 0.83 GPR84 (0.36) PRSS1PRSS2PRSS3TDP1KMT2A
SCHEMBL4644249 0.82 ALDH1A1 (0.33) TDP1KMT2AKDM4EMEN1CYP19A1
SCHEMBL4646452 0.81 KMT2A (0.36) PRSS1PRSS2PRSS3TDP1KMT2A
SCHEMBL27601507 0.81 HPGD (0.38) PRSS1PRSS2PRSS3TDP1KMT2A
SCHEMBL4643834 0.80 TDP1 (0.36) PRSS1TDP1RECQLCYP19A1L3MBTL1

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