SCHEMBL16958719

SCHEMBL16958719

CCc1ccc(Br)cc1[C](C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
RAB9A P51151 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CES2 O00748 1/20 0.41
GALR3 O60755 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
MAOA P21397 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL12302945 0.86 PTGDR2 (0.51) MAPTRAB9APTGDR2HPGDCYP1A2
SCHEMBL16960008 0.84 EDNRB (0.38) MAPTRAB9APTGDR2HPGDCYP1A2
SCHEMBL16956294 0.82 MAPT (0.39) MAPTRAB9APTGDR2HPGDCYP1A2
SCHEMBL23243427 0.82 KDM4E (0.55) MAPTRAB9APTGDR2HPGDCYP1A2
SCHEMBL31125276 0.82 KDM4E (0.55) MAPTRAB9APTGDR2HPGDCYP1A2
SCHEMBL16954878 0.81 MAPT (0.38) MAPTRAB9APTGDR2HPGDCYP1A2
SCHEMBL22305152 0.80 MAPT (0.43) MAPTRAB9APTGDR2HPGDCYP1A2
SCHEMBL16952683 0.80 MAPT (0.37) MAPTRAB9APTGDR2HPGDCYP1A2
SCHEMBL23243482 0.77 MAPT (0.48) MAPTRAB9AHPGDCYP1A2CYP2C9
SCHEMBL152998 0.77 NR4A2 (0.50) MAPTRAB9AHPGDCASP1ALDH1A1

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed