SCHEMBL20076455

SCHEMBL20076455

CCc1ccc(C2C(c3ccc(C)c(C)c3)C2(C)Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 10/20 0.34
SLC5A1 P13866 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC9A1 P19634 2/20 0.33
HTR7 P34969 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL21021542 0.86 SLC9A1 (0.37) SLC5A2SLC5A1SLC9A1HTR7
SCHEMBL21021762 0.83 SLC9A1 (0.32) SLC9A1
SCHEMBL20076689 0.82 NPSR1 (0.33) SLC5A2SLC5A1NPSR1
SCHEMBL21022302 0.82 SLC5A2 (0.32) SLC5A2SLC5A1
SCHEMBL21022090 0.80 CNR2 (0.40) SLC5A2SLC5A1SLC9A1NPSR1
SCHEMBL20076684 0.78 SLC9A1 (0.38) SLC5A2SLC5A1HTR2ASLC9A1
SCHEMBL21021656 0.78 CNR1 (0.34) SLC9A1NPSR1
SCHEMBL21021657 0.74 KDM1A (0.41) HTR2C
SCHEMBL21021588 0.74 SLC5A2 (0.35) SLC5A2SLC5A1SLC9A1NPSR1
SCHEMBL21021905 0.74 RXRA (0.32) SLC9A1

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