SCHEMBL11564995

SCHEMBL11564995

CC(C)Oc1ccc(NC(=O)C2(Cl)CC2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
RORC P51449 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
P2RX3 P56373 1/20 0.43
MAPT P10636 4/20 0.42
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
ERBB2 P04626 1/20 0.42
PIM1 P11309 1/20 0.42
MARK3 P27448 1/20 0.42
PLK1 P53350 1/20 0.42
CAMK2B Q13554 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
PIM3 Q86V86 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP3K20 Q9NYL2 1/20 0.42

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
SCHEMBL11564073 0.87 RXRA (0.48) RXRARXRBRXRGRORCTRPV1
SCHEMBL11433388 0.83 RORC (0.49) RORCP2RX3KDM4EMEN1KMT2A
SCHEMBL11566648 0.82 RXRA (0.47) RXRARXRBRXRGRORCTRPV1
SCHEMBL11442455 0.80 BRAF (0.44) RXRARXRBRXRGRORCTRPV1
SCHEMBL11720549 0.78 TP53 (0.50) RXRARXRBRXRGRORCTRPV1
SCHEMBL11050028 0.77 BRAF (0.46) RORCMAPTLMNAGAAHTT
SCHEMBL11563745 0.76 BRAF (0.44) RXRARXRBRXRGRORCTRPV1
SCHEMBL11566583 0.73 EPHX2 (0.42) RXRARXRBRXRGRORCTRPV1
SCHEMBL11565226 0.72 BRAF (0.47) MAPTLMNAHTTKDM4EMEN1
SCHEMBL11344348 0.71 RXRA (0.46) RXRARXRBRXRGRORCTRPV1

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
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed