SCHEMBL8397406

SCHEMBL8397406

Fc1ccccc1C[CH]c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
NFE2L2 Q16236 3/20 0.42
IDO1 P14902 2/20 0.42
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
AOC3 Q16853 1/20 0.37
CYP2A6 P11509 1/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2A13 Q16696 1/20 0.35

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
SCHEMBL8310443 0.83 NFE2L2 (0.48) TAAR1NFE2L2IDO1LMNAKMT2A
SCHEMBL840522 0.80 CHRM5 (0.42) TAAR1LMNAALDH1A1KMT2AATM
SCHEMBL630637 0.80 NFE2L2 (0.53) NFE2L2LMNAALDH1A1CYP2A6KMT2A
SCHEMBL15106929 0.79 PTGER4 (0.51) TAAR1NFE2L2IDO1ALDH1A1KMT2A
SCHEMBL8112257 0.78 NFE2L2 (0.50) TAAR1NFE2L2IDO1LMNAALDH1A1
SCHEMBL575057 0.75 TAAR1 (0.50) TAAR1NFE2L2IDO1LMNAALDH1A1
SCHEMBL12473708 0.75 TAAR1 (0.50) TAAR1NFE2L2IDO1LMNAALDH1A1
SCHEMBL651778 0.74 TAAR1 (0.43) TAAR1ALDH1A1CYP2A6KMT2ACYP2A13
SCHEMBL3634562 0.73 TAAR1 (0.48) TAAR1NFE2L2IDO1LMNAALDH1A1
SCHEMBL168715 0.73 TAAR1 (0.48) TAAR1IDO1LMNAALDH1A1AOC3

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-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed