SCHEMBL21268172

SCHEMBL21268172

O=C(O)c1c[c]cc(OCCCl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PLAU P00749 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NR4A2 P43354 4/20 0.35
▸ PLA2G4B P0C869 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL21268294 0.85 PARP10 (0.40) PLA2G2AKMT2ATSHRALDH1A1
SCHEMBL21268388 0.82 MAPT (0.47) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL21268367 0.81 PLA2G2A (0.61) PLA2G2AKMT2ATSHRTP53PLA2G4B
SCHEMBL16957590 0.79 — —
SCHEMBL4316367 0.79 PLA2G4B (0.49) PLA2G2AKMT2APKMTSHRTP53
SCHEMBL16956387 0.75 LMNA (0.40) PLA2G2AKMT2APKMMEN1TP53
SCHEMBL21268231 0.75 NR1H4 (0.49) PLA2G2AMAPK1
SCHEMBL21268338 0.75 L3MBTL1 (0.46) KMT2AMEN1NR4A2ALDH1A1L3MBTL1
SCHEMBL16953317 0.74 CHRNB2 (0.33) —
SCHEMBL4316500 0.74 CA1 (0.50) KMT2APKMMEN1NR4A2ALDH1A1

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-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 — — EP disclosed
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