SCHEMBL8536725

SCHEMBL8536725

CC(C)(c1ccc(N)cc1)c1ccc(Oc2ccccc2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK14 Q16539 4/20 0.44
EZH2 Q15910 1/20 0.44
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
AR P10275 5/20 0.42
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
MAOA P21397 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39

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
SCHEMBL27868427 0.88 GAA (0.69) POLBGAANPC1MAPTRAB9A
SCHEMBL26131133 0.88 GAA (0.44) POLBGAANPC1MAPTRAB9A
SCHEMBL9068875 0.86 GAA (0.67) POLBGAANPC1MAPTRAB9A
SCHEMBL20078430 0.86 POLB (0.59) POLBGAANPC1RAB9AALDH1A1
SCHEMBL8538092 0.85 ALDH1A1 (0.50) POLBGAANPC1MAPTRAB9A
SCHEMBL1851070 0.85 ALDH1A1 (0.58) POLBGAANPC1MAPTRAB9A
SCHEMBL1854865 0.84 ALDH1A1 (0.51) POLBGAANPC1MAPTRAB9A
SCHEMBL8490121 0.84 ALDH1A1 (0.55) POLBGAANPC1MAPTRAB9A
SCHEMBL16638707 0.83 POLB (0.68) POLBGAANPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL8464515 0.83 ALDH1A1 (0.50) POLBGAANPC1MAPTRAB9A

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-5708128-A HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1998-01-13 US disclosed