SCHEMBL4644097

SCHEMBL4644097

O=C(CCCCCl)Oc1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 4/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4641854 0.95 CYP3A4 (0.53) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL689823 0.92 CYP3A4 (0.59) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL688275 0.90 CYP3A4 (0.58) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL689630 0.90 CYP3A4 (0.58) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL809344 0.90 CYP3A4 (0.58) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL4644540 0.89 CYP3A4 (0.56) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL4642004 0.86 CYP3A4 (0.53) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL27705782 0.86 CYP3A4 (0.53) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL689449 0.85 CYP3A4 (0.63) CYP3A4CNR1CNR2ESR1ESR2
SCHEMBL17200765 0.84 CYP3A4 (0.51) CYP3A4CNR1CNR2ESR1ESR2

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