SCHEMBL21034411

SCHEMBL21034411

O=C(O)COc1ncccc1COc1ccc(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.49
MRGPRX4 Q96LA9 5/20 0.46
KDM4C Q9H3R0 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGER1 P34995 1/20 0.42

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
SCHEMBL29813459 0.84 PKM (0.50) PTGDR2KDM4CTDP1PKMALDH1A1
SCHEMBL29264063 0.84 PKM (0.50) PTGDR2KDM4CTDP1PKMALDH1A1
SCHEMBL21034414 0.83 PTGDR2 (0.47) PTGDR2MRGPRX4TDP1TSHRHIF1A
SCHEMBL3727991 0.79 TDP1 (0.70) PTGDR2TDP1PKMALDH1A1L3MBTL1
SCHEMBL21034848 0.75 PTGDR2 (0.35) PTGDR2MRGPRX4CYP2C19CARM1HIF1A
SCHEMBL21034417 0.72 LMNA (0.46) ALDH1A1L3MBTL1LMNASMN1; SMN2CARM1
SCHEMBL27912615 0.72 KMT2A (0.58) PTGDR2TDP1ALOX15LMNASMN1; SMN2
SCHEMBL2783223 0.72 CCR2 (0.47) KDM4CLMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL2938986 0.71 KMT2A (0.50) PTGDR2TDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL5593022 0.70 SLC6A2 (0.41) TDP1ALDH1A1ALOX15NPSR1HSD17B10

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-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 WO disclosed