SCHEMBL16950876

SCHEMBL16950876

C=Cc1cccc(OCCC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NFE2L2 Q16236 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39

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
SCHEMBL9310453 0.90 CHRM2 (0.49) CHRM2LMNACHRM1ALOX15TSHR
SCHEMBL16957801 0.87 CHRM2 (0.42) CHRM2LMNACHRM1ALOX15TSHR
SCHEMBL16951406 0.87 NFE2L2 (0.41) CHRM2LMNACHRM1ALOX15TSHR
SCHEMBL16960320 0.87 NPC1 (0.49) NFE2L2SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL16951226 0.84 NFE2L2 (0.44) CHRM2LMNACHRM1ALOX15TSHR
SCHEMBL16958262 0.83 HTR1B (0.40) CHRM2LMNACHRM1ALOX15TSHR
SCHEMBL26731684 0.83 CHRM2 (0.40) CHRM2LMNACHRM1ALOX15TSHR
SCHEMBL2098846 0.83 HPGD (0.48) LMNATSHRSMN1; SMN2NPC1MEN1
SCHEMBL16959757 0.82 CHRM2 (0.39) CHRM2LMNACHRM1ALOX15TSHR
SCHEMBL16954680 0.81 MCHR1 (0.41) CHRM2LMNACHRM1ALOX15TSHR

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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