SCHEMBL18745627

SCHEMBL18745627

COc1ccc(C(C)C(C)(C)c2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ MITF O75030 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL18745578 0.76 NFE2L2 (0.55) NFE2L2KMT2AALDH1A1LMNAMAPT
SCHEMBL28331815 0.76 NFE2L2 (0.55) NFE2L2KMT2AALDH1A1LMNAHTT
SCHEMBL13096609 0.76 NFE2L2 (0.55) NFE2L2KMT2AALDH1A1LMNAMAPT
SCHEMBL7374925 0.76 NFE2L2 (0.55) NFE2L2KMT2AALDH1A1LMNAMAPT
SCHEMBL20149020 0.75 NR1H2 (0.45) LMNAHTTNPSR1SMN1; SMN2
Water SCHEMBL28134264 0.75 NFE2L2 (0.70) NFE2L2ALDH1A1GAAMAPTMAPK1
SCHEMBL12766982 0.74 MAPK1 (0.52) KMT2AALDH1A1MAPK1NPSR1MEN1
SCHEMBL10139336 0.74 MAPK1 (0.52) KMT2AALDH1A1MAPK1NPSR1MEN1
SCHEMBL10139335 0.74 MAPK1 (0.52) KMT2AALDH1A1MAPK1NPSR1MEN1
SCHEMBL28076993 0.73 NFE2L2 (0.52) NFE2L2KMT2AALDH1A1LMNAGAA

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-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
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