SCHEMBL8699463

SCHEMBL8699463

[c]1ccc(OCCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
HTR2A P28223 1/20 0.40
HRH3 Q9Y5N1 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KCNA3 P22001 2/20 0.35
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
TDO2 P48775 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8699459 0.75 HTR2A (0.39) PPARGPPARAHTR2AHRH3CA1
SCHEMBL3696413 0.72 KCNA3 (0.61) KCNA3TAAR1ALDH1A1RECQLMAPT
SCHEMBL10785918 0.71 KCNA3 (0.43) KCNA3TAAR1ALDH1A1RECQLMAPT
SCHEMBL5353138 0.71 HTR2A (0.64) HTR2AHRH3CA1CA2KMT2A
SCHEMBL5583706 0.70 KCNA3 (0.65) KCNA3TAAR1ALDH1A1RECQL
SCHEMBL6539549 0.70 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQL
SCHEMBL28467316 0.69 GPR3 (0.33) HTR2ACA1CA2
SCHEMBL833958 0.69 NFE2L2 (0.51) HRH3
SCHEMBL27608668 0.69 HTR2A (0.47) HTR2AHRH3CA1CA2KMT2A
SCHEMBL7574105 0.69 HTR2A (0.61) HTR2AHRH3CA1CA2KMT2A

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-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed