SCHEMBL16957855

SCHEMBL16957855

C=[C]c1cccc(OCCOC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SYK P43405 1/20 0.42
▸ ACACB O00763 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37

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
SCHEMBL16953600 0.84 KMT2A (0.50) MAPK1KDM4ENPC1RAB9AKMT2A
SCHEMBL16953412 0.83 LTA4H (0.53) CYP1A2CYP2C19KMT2A
SCHEMBL2971332 0.83 EGFR (0.46) MAPK1CYP1A2CYP2D6CYP2C19SYK
SCHEMBL30924197 0.83 EGFR (0.46) MAPK1CYP1A2CYP2D6CYP2C19SYK
SCHEMBL2908379 0.83 TBXAS1 (0.52) MAPK1CYP1A2CYP2D6CYP2C19TBXAS1
SCHEMBL29996269 0.83 TBXAS1 (0.52) MAPK1CYP1A2CYP2D6CYP2C19TBXAS1
SCHEMBL15723552 0.81 MAPK1 (0.58) MAPK1CYP1A2CYP2D6CYP2C19SYK
SCHEMBL16961798 0.81 ALDH1A1 (0.57) CYP2D6SYKALDH1A1KMT2ATBXAS1
SCHEMBL16956896 0.81 TBXAS1 (0.38) MAPK1ALDH1A1LMNATBXAS1
SCHEMBL694324 0.80 TP53 (0.53) MAPK1CYP1A2CYP2D6CYP2C19KDM4E

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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