SCHEMBL16952952

SCHEMBL16952952

CCCCOc1cc(C)cc(CCC)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.43
CNR2 P34972 9/20 0.43
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
AHR P35869 1/20 0.39
LTA4H P09960 2/20 0.39
NR5A1 Q13285 1/20 0.38

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
SCHEMBL7998085 0.88 GLA (0.47) TP53
SCHEMBL16953779 0.87 MAPT (0.45) TP53ALOX15AHRLTA4HNR5A1
SCHEMBL16952389 0.85 NQO1 (0.39) CNR1CNR2TP53
SCHEMBL14331832 0.84 PLA2G2A (0.48) TP53ALOX15AHRLTA4HNR5A1
SCHEMBL1071885 0.84 TP53 (0.50) TP53ALOX15LTA4HNR5A1
SCHEMBL16961617 0.84 TP53 (0.45) CNR1CNR2TP53ALOX15LTA4H
SCHEMBL16960770 0.81 ALDH1A1 (0.40) TP53ALOX15AHRLTA4H
SCHEMBL8641708 0.80 NR5A1 (0.49) CNR1CNR2TP53ALOX15LTA4H
SCHEMBL16953239 0.80 CNR1 (0.46) CNR1CNR2LTA4HNR5A1
SCHEMBL16952948 0.80 CNR1 (0.43) CNR1CNR2LTA4H

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