SCHEMBL4641503

SCHEMBL4641503

O=C(CCCl)C(=O)C(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TSHR P16473 2/20 0.37
HIF1A Q16665 2/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 7/20 0.36
HTT P42858 3/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.35
TRPA1 O75762 1/20 0.35
GSK3B P49841 1/20 0.35
KIF11 P52732 5/20 0.35
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CES2 O00748 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
SCHEMBL4643705 0.89 CYP1A2 (0.50) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4641546 0.88 CYP1A2 (0.48) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4641405 0.85 CYP1A2 (0.53) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4642170 0.85 CYP1A2 (0.57) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4642060 0.83 KCNN4 (0.41) CYP1A2TSHRHIF1ACYP2C19ALDH1A1
SCHEMBL4641343 0.82 CYP1A2 (0.50) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4644213 0.81 CYP1A2 (0.57) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4642053 0.81 CYP1A2 (0.48) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL22616416 0.76 CYP1A2 (0.67) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4644154 0.73 KCNN4 (0.39) CYP1A2HIF1ACYP2C19ALDH1A1MAPK1

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