SCHEMBL16952189

SCHEMBL16952189

C=C[C](C)c1cc(Br)cc(OCCCC)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.42
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ SMPD1 P17405 3/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ NR5A1 Q13285 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL16960574 0.86 PLA2G2A (0.46) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16955778 0.86 MAOB (0.35) AKR1C2AKR1C1RAB9ATP53TSHR
SCHEMBL16951121 0.85 PLA2G2A (0.42) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16956747 0.85 AHR (0.50) PLA2G2ARAB9ATSHR
SCHEMBL16953340 0.84 PLA2G2A (0.41) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16958471 0.84 PLA2G2A (0.41) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16955003 0.84 PLA2G2A (0.41) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16954357 0.84 PLA2G2A (0.41) PLA2G2ASMPD1LTA4HNR5A1GAA
SCHEMBL16953056 0.82 PLA2G2A (0.43) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16959243 0.82 CNR1 (0.44) PLA2G2A

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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