SCHEMBL29643042

SCHEMBL29643042

CCc1ccc(-c2ccc(Cl)cc2Cl)cc1C1=C(OC(=O)O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 1/20 0.37
▸ EDNRA P25101 1/20 0.37
▸ MARS1 P56192 5/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ GCG P01275 2/20 0.32
▸ GCGR P47871 1/20 0.32
▸ SHMT1 P34896 1/20 0.32
▸ SHMT2 P34897 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ DGAT1 O75907 1/20 0.32

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
SCHEMBL15800880 1.00 EDNRB (0.37) EDNRBEDNRAMARS1SRD5A2NPC1
SCHEMBL12129756 0.93 SRD5A2 (0.35) EDNRBEDNRAMARS1SRD5A2NPC1
SCHEMBL29435260 0.93 SRD5A2 (0.35) EDNRBEDNRAMARS1SRD5A2NPC1
SCHEMBL12129754 0.92 EDNRB (0.34) EDNRBEDNRAMARS1SRD5A2NPC1
SCHEMBL12129764 0.91 GAA (0.35) EDNRBEDNRAMARS1SRD5A2NPC1
SCHEMBL31127713 0.91 GAA (0.35) EDNRBEDNRAMARS1SRD5A2NPC1
SCHEMBL29642885 0.90 CTSA (0.34) GCGRDGAT1
SCHEMBL15800885 0.90 PPARG (0.35) EDNRBEDNRADGAT1
SCHEMBL12129753 0.90 EDNRB (0.33) EDNRBEDNRAMARS1SRD5A2NPC1
SCHEMBL15273862 0.84 MAOB (0.34) —

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
CN-107426979-B Plants with increased herbicide tolerance 巴斯夫欧洲公司 2022-07-01 — — CN disclosed
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