SCHEMBL11565893

SCHEMBL11565893

CC1(C(=O)Nc2ccc(OCC3CC3)c(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.46
RAF1 P04049 2/20 0.46
ARAF P10398 2/20 0.46
KDR P35968 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
HPGD P15428 2/20 0.44
S1PR1 P21453 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
P2RX4 Q99571 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11435806 0.84 PDE4B (0.41) HPGDLMNASMN1; SMN2PDE4APDE4B
SCHEMBL11565226 0.83 BRAF (0.47) BRAFKDRHPGDS1PR1KDM4E
SCHEMBL11564382 0.83 P2RX3 (0.49) P2RX4RORCPDE4APDE4BPDE4C
SCHEMBL11566813 0.82 BRAF (0.46) BRAFRAF1KDRHPGDS1PR1
SCHEMBL11561946 0.81 RXRA (0.48) BRAFKDRHPGDS1PR1KDM4E
SCHEMBL11568138 0.81 MRGPRX4 (0.49) BRAFKDRHPGDS1PR1HTR2A
SCHEMBL11050028 0.79 BRAF (0.46) BRAFKDRHPGDS1PR1KDM4E
SCHEMBL11564073 0.79 RXRA (0.48) BRAFKDRTRPV1HPGDS1PR1
SCHEMBL11565663 0.79 BRAF (0.47) BRAFKDRHPGDS1PR1KDM4E
SCHEMBL11563745 0.78 BRAF (0.44) BRAFKDRTRPV1HPGDS1PR1

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