SCHEMBL16954833

SCHEMBL16954833

C=C[C](C)c1cc(OCC)cc(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ BRD2 P25440 3/20 0.36
▸ CREBBP Q92793 3/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ RXRA P19793 2/20 0.32
▸ RARG P13631 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 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
SCHEMBL16959385 0.87 PLA2G2A (0.39) ALDH1A1HTTRXRARARGPPARG
SCHEMBL16952802 0.87 LMNA (0.33) ACACBMAPTALDH1A1MEN1KMT2A
SCHEMBL16955026 0.85 KMT2A (0.41) BRD4BRD2CREBBPPTGS2MAPT
SCHEMBL16961351 0.83 PDE4A (0.33) ALDH1A1MEN1KMT2AHTT
SCHEMBL16954575 0.82 PTGS2 (0.39) ACACBBRD4BRD2CREBBPPTGS2
SCHEMBL16956238 0.82 MEN1 (0.35) ACACBBRD4BRD2CREBBPPTGS2
SCHEMBL16956111 0.80 GABRA1 (0.33) KDM4E
SCHEMBL16955778 0.80 MAOB (0.35) BRD4BRD2CREBBPMAPTALDH1A1
SCHEMBL16959315 0.80 ESR1 (0.45) BRD4BRD2CREBBPALDH1A1MEN1
SCHEMBL16961574 0.80 KAT6A (0.40) BRD4BRD2CREBBPALDH1A1MEN1

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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