SCHEMBL20076687

SCHEMBL20076687

C=C(C)C1C(c2ccc(F)cc2)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
HSD11B1 P28845 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 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
SCHEMBL20076385 0.82 SLC9A1 (0.59) SLC9A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL21021021 0.82 SLC9A1 (0.43) SLC9A1KDM1A
SCHEMBL20076850 0.81 SLC9A1 (0.38) SLC9A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL20076379 0.80 SLC9A1 (0.42) SLC9A1NPSR1SLC6A2SLC6A3MEN1
SCHEMBL23848440 0.75 RECQL (0.44) RECQLNPSR1SLC6A2SLC6A3HSD11B1
SCHEMBL20076428 0.75 SLC9A1 (0.40) SLC9A1
SCHEMBL21021075 0.74 SLC9A1 (0.37) SLC9A1
SCHEMBL20076734 0.74 SLC6A2 (0.38) SLC9A1NPSR1CHRNA1CHRNGCHRNB1
SCHEMBL21022279 0.74 FFAR4 (0.30)
SCHEMBL18898525 0.71 RECQL (0.41) RECQLNPSR1CHRNA1CHRNGCHRNB1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed