SCHEMBL22592011

SCHEMBL22592011

O=CC(CO)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ HPGD P15428 4/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ TTR P02766 3/20 0.43
▸ HTT P42858 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSPA5 P11021 1/20 0.41

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
SCHEMBL19956602 0.84 SMN1; SMN2 (0.50) SMN1; SMN2PPARATDP1HPGDCYP1A2
SCHEMBL27290431 0.76 PPARG (0.44) PPARACYP1A2CYP2C9CYP2C19
SCHEMBL29863098 0.75 HPGD (0.51) SMN1; SMN2PPARAHPGDCYP1A2CYP2C9
SCHEMBL9642579 0.75 SMN1; SMN2 (0.54) SMN1; SMN2PPARATDP1HPGDCYP1A2
SCHEMBL9643818 0.75 HPGD (0.51) SMN1; SMN2PPARAHPGDCYP1A2CYP2C9
SCHEMBL28096041 0.73 PPARA (0.59) SMN1; SMN2PPARATDP1HPGDCYP1A2
SCHEMBL10876542 0.72 SMN1; SMN2 (0.51) SMN1; SMN2PPARATDP1HPGDCYP1A2
SCHEMBL27376133 0.72 PPARA (0.48) SMN1; SMN2PPARACYP1A2CYP2C19CYP3A4
SCHEMBL11781765 0.72 SMN1; SMN2 (0.51) SMN1; SMN2PPARATDP1HPGDCYP1A2
SCHEMBL10873898 0.71 SMN1; SMN2 (0.47) SMN1; SMN2PPARATDP1HPGDCYP1A2

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-3082429-B1 SYNERGISTIC HERBICIDAL WEED CONTROL DOW AGROSCIENCES LLC (US) 2020-10-28 — — EP disclosed
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