SCHEMBL16958013

SCHEMBL16958013

CCCC[C](C)c1cccc(C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.38
P2RX7 Q99572 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PTGS2 P35354 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
RECQL P46063 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16951735 0.89 F2R (0.40) F2RP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL16951536 0.84 F2R (0.47) F2RP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL16950850 0.84 F2R (0.41) F2RPTGS2HPGDKMT2ASMN1; SMN2
SCHEMBL815730 0.82 F2R (0.45) F2RPTGS2HPGDKMT2ASMN1; SMN2
SCHEMBL16957551 0.82 TAS1R3 (0.38) F2RP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL16959843 0.79 F2R (0.38) F2RP2RX7PTGS2HPGDKMT2A
SCHEMBL16960098 0.78 ALDH1A1 (0.38) P2RX7TAS1R3TAS1R1TAS1R2PTGS2
SCHEMBL16951879 0.78 P2RX7 (0.38) P2RX7TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL16952527 0.78 PTGS2 (0.38) P2RX7TAS1R3TAS1R1TAS1R2PTGS2
SCHEMBL7199401 0.77 P2RX7 (0.42) F2RP2RX7KMT2AMEN1ALDH1A1

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