SCHEMBL16957804

SCHEMBL16957804

CCCc1ccc(Br)cc1[CH]O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.38
▸ ERN1 O75460 1/20 0.36
▸ EDNRB P24530 2/20 0.35
▸ EDNRA P25101 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL16962173 0.85 ERN1 (0.42) HPGDTSHRERN1MEN1KMT2A
SCHEMBL16954372 0.81 HPGD (0.37) HPGDTSHRERN1EDNRBEDNRA
SCHEMBL27997027 0.81 ERN1 (0.48) HPGDTSHRERN1EDNRBEDNRA
SCHEMBL16960241 0.79 SRC (0.42) TSHRMEN1KMT2AGAAKDM4E
SCHEMBL16952638 0.78 FLT1 (0.38) HPGDTSHRERN1MEN1KMT2A
SCHEMBL16961173 0.78 MAPT (0.41) POLBMAPTPRKCIRAB9A
SCHEMBL11717708 0.76 EDNRB (0.39) HPGDTSHREDNRBEDNRAMEN1
SCHEMBL16952195 0.75 ERN1 (0.42) ERN1KMT2ACYP1A2POLBKDM4E
SCHEMBL15660887 0.75 TYR (0.50) HPGDTSHRMEN1KMT2ACYP3A4
SCHEMBL11451577 0.74 PYCR1 (0.44) TSHREDNRBEDNRAMEN1KMT2A

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
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