SCHEMBL16952045

SCHEMBL16952045

COc1c(CO)cccc1SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3G Q9HC16 1/20 0.44
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

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
SCHEMBL16957446 0.82 APOBEC3G (0.41) APOBEC3GHPGDLMNAMAPTKDM4E
SCHEMBL129790 0.82 ALDH1A1 (0.46) APOBEC3GMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4460479 0.80 SMN1; SMN2 (0.43) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL11122214 0.78 APOBEC3G (0.42) APOBEC3GHPGDLMNAMAPTKDM4E
SCHEMBL11125473 0.77 PRMT1 (0.44) APOBEC3GHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL1146142 0.76 APOBEC3G (0.67) APOBEC3GLMNAMAPTKDM4EALDH1A1
SCHEMBL16955330 0.75 GABRA1 (0.46) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL95873 0.75 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4897798 0.75 PDCD1 (0.41) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1836066 0.75 CA1 (0.48) HPGDLMNAMAPTKDM4EALDH1A1

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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