SCHEMBL11322005

SCHEMBL11322005

CCCC(=C1C=CC=C1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 3/20 0.36
TRPA1 O75762 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL11330185 0.86 GAA (0.49) HTR7HPGDNPC1RAB9AGAA
SCHEMBL11319329 0.85 HTR7 (0.39) HTR7HPGDALDH1A1NPC1RAB9A
SCHEMBL11316612 0.83 HDAC3 (0.39) HPGDALDH1A1MEN1KMT2AGAA
SCHEMBL9303552 0.81 CES2 (0.46) HPGDALDH1A1GAAHDAC3HDAC1
SCHEMBL17995167 0.73 CES2 (0.44) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL11326810 0.73 MAOA (0.33) NPC1RAB9ACES2CES1
SCHEMBL10893005 0.71 HTR7 (0.53) HTR7HPGDALDH1A1NPC1RAB9A
SCHEMBL11775906 0.70 HTR7 (0.52) HTR7HPGDALDH1A1NPC1RAB9A
SCHEMBL11313782 0.70 CES2 (0.41) HTR7NPC1RAB9ACES2CES1
SCHEMBL2490498 0.68 HTR7 (0.78) HTR7HPGDALDH1A1NPC1RAB9A

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-4264336-A FOR IMPROVING THE OCTANE QUALITY OF UNLEADED GASOLINE PHILLIPS PETROLEUM COMPANY (US) 1981-04-28 US disclosed