SCHEMBL16958283

SCHEMBL16958283

[CH2]c1cc(CC(C)C)cc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ PTGS1 P23219 3/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ AKR1C3 P42330 2/20 0.32
▸ CXCR1 P25024 2/20 0.32
▸ CXCR2 P25025 2/20 0.32
▸ ALB P02768 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ NR1I3 Q14994 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ CXCL8 P10145 1/20 0.32
▸ TSHR P16473 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
SCHEMBL28258623 0.84 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL16962398 0.84 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL16959552 0.81 PTGS2 (0.30) PTGS2LMNA
SCHEMBL16954917 0.78 CNR1 (0.31) —
SCHEMBL24446732 0.77 NOS3 (0.37) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL16956531 0.77 NOS3 (0.37) GABRA1GABRB2
SCHEMBL16954137 0.77 GABRA1 (0.34) GABRA1GABRB2PTGS2
SCHEMBL24926425 0.77 GABRA1 (0.34) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL3172344 0.77 GABRA1 (0.37) GABRA1GABRB2PTGS1LMNAFABP3
SCHEMBL16951374 0.75 GABRA1 (0.33) GABRA1GABRB2CHRM1PDE4A

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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