SCHEMBL16951305

SCHEMBL16951305

C[C](CO)c1cc(Br)cc(OCC(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ NR1H4 Q96RI1 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ GCK P35557 1/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ FOS P01100 2/20 0.31
▸ JUN P05412 2/20 0.31
▸ SMPD1 P17405 2/20 0.31
▸ ACACB O00763 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL16957056 0.86 MEN1 (0.37) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16952753 0.85 MAPT (0.36) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16954766 0.83 TP53 (0.37) ALDH1A1KAT6ATSHRKDM4ETP53
SCHEMBL16960252 0.83 ALDH1A1 (0.35) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16957061 0.83 MAOB (0.36) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16953386 0.83 F2 (0.35) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16956610 0.83 HPGD (0.40) MAPTPOLBHPGDXBP1ALDH1A1
SCHEMBL16952431 0.81 HPGD (0.37) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16956509 0.81 MAPT (0.34) MAPTPOLBHPGDXBP1NR1H4
SCHEMBL16957419 0.81 FFAR4 (0.39) MAPTPOLBHPGDXBP1NR1H4

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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