SCHEMBL8693287

SCHEMBL8693287

OCC(Cl)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TRPA1 O75762 5/20 0.43
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GSR P00390 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL6049971 0.80 TSHR (0.48) TSHRLMNAHTR2ATAAR1KDM4E
SCHEMBL8779745 0.77 TSHR (0.50) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL1146364 0.77 TSHR (0.50) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL9875014 0.77 TRPA1 (0.45) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL8779726 0.77 TSHR (0.50) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL8693291 0.76 TACR1 (0.44) TSHRHTR2ATAAR1
SCHEMBL301347 0.75 LMNA (0.44) TSHRTRPA1LMNAKDM4EL3MBTL1
SCHEMBL246459 0.75 LMNA (0.44) TSHRTRPA1LMNAKDM4EL3MBTL1
SCHEMBL2126865 0.73 TACR1 (0.50) TRPA1HTR2ATAAR1DPP4F2
SCHEMBL548337 0.73 TRPA1 (0.54) TRPA1LMNATAAR1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed