SCHEMBL4641405

SCHEMBL4641405

O=C(CCO)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
KIF11 P52732 7/20 0.35
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNN4 O15554 1/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 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
SCHEMBL4641343 0.89 CYP1A2 (0.50) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4642053 0.88 CYP1A2 (0.48) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4641503 0.85 CYP1A2 (0.53) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4644213 0.85 CYP1A2 (0.57) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4643705 0.82 CYP1A2 (0.50) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4642170 0.81 CYP1A2 (0.57) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL4645036 0.81 KCNN4 (0.42) CYP1A2TSHRHIF1ACYP2C19KIF11
SCHEMBL4641546 0.81 CYP1A2 (0.48) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL22616416 0.76 CYP1A2 (0.67) CYP1A2CNR1CNR2TSHRHIF1A
SCHEMBL41202 0.71 CYP1A2 (1.00) CYP1A2CNR1CNR2TSHRHIF1A

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