SCHEMBL9065752

SCHEMBL9065752

C/C=C/Oc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2A6 P11509 1/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
PPARA Q07869 1/20 0.35
MMP13 P45452 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGS2 P35354 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
SCHEMBL9065756 1.00 LMNA (0.38) LMNACYP2A6MAOBMAOAHPGD
SCHEMBL5612605 0.87 LMNA (0.39) LMNACA1CA2CA9CYP3A4
SCHEMBL535420 0.80 LMNA (0.42) LMNACYP2A6MAOBMAOAHPGD
SCHEMBL9133041 0.80 ESR2 (0.36) LMNAMAOBCA1CA2CA9
SCHEMBL11136720 0.76 TDP1 (0.48) MAOBMAOAHPGDMEN1KMT2A
SCHEMBL3791268 0.76 CYP2A6 (0.38) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL11136726 0.76 TDP1 (0.48) MAOBMAOAHPGDMEN1KMT2A
SCHEMBL30046823 0.76 NFE2L2 (0.43) LMNAMAOBMAOACYP3A4CYP1A2
SCHEMBL9216513 0.76 MEN1 (0.46) LMNAHPGDMEN1KMT2ACA1
SCHEMBL5898125 0.75 CA4 (0.43) LMNAMAOAKMT2ATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489517-B1 Stabilised polyketone composition BP CHEM INT LTD (GB) 1996-12-27 EP claimed