SCHEMBL17514992

SCHEMBL17514992

COc1[c]cccc1-c1cc(Cl)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
CHRM3 P20309 2/20 0.34
TGFBR1 P36897 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 3/20 0.32
CTSA P10619 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
S100A4 P26447 1/20 0.32
AMY1A P0DUB6 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL17514487 0.89 HSD11B1 (0.36) HSD11B1LMNAGAAKMT2ACTSD
SCHEMBL17514527 0.86 PTPN1 (0.36) TGFBR1KMT2ACTSA
SCHEMBL17514517 0.86 PTPN1 (0.36) LMNAKMT2AS100A4
SCHEMBL9393668 0.83 CRHR1 (0.44) HSD11B1
SCHEMBL2086754 0.82 RAB9A (0.36) LMNAGAA
SCHEMBL17514753 0.79 OXTR (0.34) CTSA
SCHEMBL17514938 0.79 PTGS2 (0.46) CHRM3
SCHEMBL17514786 0.77 HPGD (0.36) KMT2A
SCHEMBL17514995 0.77 HTR1A (0.37) HSD11B1AMY1A
SCHEMBL17514655 0.77 HSD11B1 (0.41) HSD11B1AMY1A

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-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed