SCHEMBL6587700

SCHEMBL6587700

O=C(Cl)c1ccc(Cl)c(C=Cc2ccoc2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALOX5 P09917 2/20 0.37
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL7109695 0.73 ALDH1A1 (0.31) KMT2AALDH1A1
SCHEMBL6584802 0.73 RAB9A (0.33) HCAR2KMT2AMAPTPOLBALDH1A1
SCHEMBL6832853 0.68 HCAR2 (0.69) HCAR2KMT2AMAPTPOLBALDH1A1
SCHEMBL3513899 0.68 HCAR2 (0.69) HCAR2KMT2AMAPTPOLBALDH1A1
SCHEMBL967909 0.64 CYP3A4 (0.44) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL103521 0.63 ALDH1A1 (0.44) KMT2AMAPTPOLBALDH1A1CYP1A2
SCHEMBL564789 0.62 HCAR2 (1.00) HCAR2KMT2AMAPTPOLBALDH1A1
SCHEMBL660178 0.62 HCAR2 (1.00) HCAR2KMT2AMAPTPOLBALDH1A1
SCHEMBL7893859 0.62 HCAR2 (1.00) HCAR2KMT2AMAPTPOLBALDH1A1
SCHEMBL7707415 0.61 ALDH1A1 (0.54) KMT2AMAPTPOLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984944-B1 SUBSTITUTED 4-(3-ALKENYL-BENZOYL)-PYRAZOLES BASF AG (DE) 2004-08-04 EP disclosed
US-6143696-A FOR CROP PROTECTION; HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed