SCHEMBL4643773

SCHEMBL4643773

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 7/20 0.36
NPC1 O15118 3/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
CCR3 P51677 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL4641878 0.96 HTT (0.37) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4643777 0.89 HTT (0.38) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4644484 0.89 HTT (0.37) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4641882 0.88 HTT (0.39) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL27601501 0.86 GRM5 (0.44) GRM5NPC1MAPTRAB9AALDH1A1
SCHEMBL4642378 0.84 MEN1 (0.38) MAPTALDH1A1CCR3
SCHEMBL4642834 0.84 HTT (0.40) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL4642836 0.82 SMN1; SMN2 (0.41) HTTSMN1; SMN2GRM5NPC1MAPT
SCHEMBL27620092 0.82 GRM5 (0.46) GRM5NPC1MAPTRAB9AALDH1A1
SCHEMBL4641491 0.80 MEN1 (0.39) ALDH1A1CCR3

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