SCHEMBL4642834

SCHEMBL4642834

O=C(CO)C(=O)C(Cl)c1ccccc1.O=C(CO)C(=O)COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 7/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TACR1 P25103 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
SLC1A1 P43005 1/20 0.35

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
SCHEMBL4642836 0.88 SMN1; SMN2 (0.41) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4641878 0.85 HTT (0.37) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4643773 0.84 HTT (0.36) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4647061 0.82 CES2 (0.42) NPC1MAPTALDH1A1TSHRCES2
SCHEMBL4644484 0.82 HTT (0.37) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4641882 0.81 HTT (0.39) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4643777 0.80 HTT (0.38) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4642422 0.74 ALDH1A1 (0.45) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4645447 0.73 TSHR (0.50) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL27620037 0.71 TSHR (0.48) GRM5NPC1MAPTALDH1A1TSHR

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