SCHEMBL16953340

SCHEMBL16953340

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ESR1 P03372 1/20 0.36
▸ F2 P00734 4/20 0.36
▸ THRB P10828 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ NR5A1 Q13285 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL16950600 0.86 BRD4 (0.37) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16960574 0.85 PLA2G2A (0.46) PLA2G2ARAB9ASMN1; SMN2KMT2ALTA4H
SCHEMBL16952189 0.84 PLA2G2A (0.42) PLA2G2ARAB9ALTA4HNR5A1GAA
SCHEMBL16951121 0.84 PLA2G2A (0.42) PLA2G2ARAB9AF2LTA4HNR5A1
SCHEMBL16956747 0.84 AHR (0.50) PLA2G2ARAB9ANPC1SMN1; SMN2TSHR
SCHEMBL16958672 0.83 PLA2G2A (0.46) PLA2G2ARAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL16958471 0.82 PLA2G2A (0.41) PLA2G2ARAB9AFAAHLTA4HNR5A1
SCHEMBL16955003 0.82 PLA2G2A (0.41) PLA2G2ARAB9ASMN1; SMN2MAPTTHRB
SCHEMBL16954357 0.82 PLA2G2A (0.41) PLA2G2ARAB9AKMT2AESR1THRB
SCHEMBL16953056 0.81 PLA2G2A (0.43) PLA2G2ARAB9AMAPTLTA4HNR5A1

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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