SCHEMBL12653603

SCHEMBL12653603

CC1(c2cc(Cl)c(Cl)c(Cl)c2)CN=C(c2ccc(C(=O)O)c(C(F)(F)F)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
CCR2 P41597 3/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDK2 Q15119 1/20 0.34
EIF4E P06730 1/20 0.34
KMO O15229 2/20 0.33
NOTUM Q6P988 2/20 0.33
RORC P51449 3/20 0.33
ACLY P53396 1/20 0.32
FABP4 P15090 2/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12653488 0.88 EGLN1 (0.34) PDE3BPDE3ARAB9A
SCHEMBL12653281 0.86 RXRB (0.39) RXRARXRB
SCHEMBL1806038 0.85 PDK2 (0.36) RXRARXRBPDE3BPDE3APDK2
SCHEMBL12653604 0.85 EGLN1 (0.34) NOTUM
SCHEMBL12653564 0.80 CCR2 (0.33) CCR2
SCHEMBL16433557 0.80 RXRB (0.57) RXRARXRBCCR2ACLY
SCHEMBL14957787 0.79 TSHR (0.40) RXRARXRBCCR2PDK2ACLY
SCHEMBL1805279 0.76 RXRB (0.44) RXRARXRBPDK2RORC
SCHEMBL14961941 0.76 RXRB (0.38) RXRARXRBCCR2ACLYRAB9A
SCHEMBL3439106 0.74 EGLN1 (0.33)

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
WO-2011054871-A1 INSECTICIDAL ARYLPYRROLINE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-05-12 WO disclosed