SCHEMBL20320105

SCHEMBL20320105

COCC1=CC2O[C@H]1[C@H]1C(=O)C(c3ccc(Br)cc3OC)C(=O)[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
LPAR1 Q92633 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL22906306 1.00 KMT2A (0.32) KMT2ALPAR1MAPTPOLBALDH1A1
SCHEMBL21840238 1.00 KMT2A (0.32) KMT2ALPAR1MAPTPOLBALDH1A1
SCHEMBL20320143 1.00 KMT2A (0.32) KMT2ALPAR1MAPTPOLBALDH1A1
SCHEMBL20320142 0.85 MEN1 (0.38) KMT2AMAPTALDH1A1NPSR1MEN1
SCHEMBL21840247 0.79 ALDH1A1 (0.38) KMT2ALPAR1POLBALDH1A1CYP3A4
SCHEMBL20320133 0.79 ALDH1A1 (0.38) KMT2ALPAR1POLBALDH1A1CYP3A4
SCHEMBL20320099 0.79 ALDH1A1 (0.38) KMT2ALPAR1POLBALDH1A1CYP3A4
SCHEMBL21938657 0.73 ALDH1A1 (0.39) KMT2ALPAR1MAPTALDH1A1MEN1
SCHEMBL20320102 0.73 ALDH1A1 (0.39) KMT2ALPAR1MAPTALDH1A1MEN1
SCHEMBL21840205 0.73 ALDH1A1 (0.39) KMT2ALPAR1MAPTALDH1A1MEN1

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
WO-2018114584-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 WO disclosed