SCHEMBL9408167

SCHEMBL9408167

CC(C)c1cc(C(C)C)c(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 2/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GABRB1 P18505 3/20 0.41
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FABP4 P15090 3/20 0.34
FABP3 P05413 2/20 0.34
FABP5 Q01469 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9269913 0.86 NPC1 (0.42) GABRA1GABRB2NPC1RAB9AGABRB1
SCHEMBL9265708 0.85 GABRA1 (0.46) GABRA1GABRB2NPC1RAB9AGABRB1
SCHEMBL9268510 0.85 GABRA1 (0.50) GABRA1GABRB2NPC1RAB9AGABRB1
SCHEMBL4357048 0.83 NPC1 (0.50) GABRA1GABRB2NPC1RAB9AGABRB1
SCHEMBL9267379 0.81 GABRA1 (0.42) GABRA1GABRB2NPC1RAB9AGABRB1
SCHEMBL13700419 0.81 GABRA1 (0.37) GABRA1GABRB2NPC1RAB9AGABRB1
SCHEMBL9258342 0.80 FABP4 (0.42) GABRA1GABRB2NPC1RAB9AGABRB1
SCHEMBL28349955 0.72 NPC1 (0.37) GABRA1GABRB2NPC1RAB9AGABRB1
SCHEMBL11616334 0.71 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL13273869 0.71 NPC1 (0.39) GABRA1NPC1RAB9AGABRB1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5319091-A Contacting sulfur-containing aromatic compound with hydroxyphenylbenzotriazole derivative in presence of polar organic compound, oxidizing formed aryl sulfide derivative to sulfone, sulfoxide or mixtures PHILLIPS PETROLEUM COMPANY (US) 1994-06-07 US disclosed
EP-0599269-A1 Compositions comprising sulfur-containing derivatives of hydroxyphenylbenzotriazole and process therefor PHILLIPS PETROLEUM COMPANY (US) 1994-06-01 EP disclosed
US-5274015-A And a polyarylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1993-12-28 US disclosed
US-5268450-A Reating sodium hydrosulfide with a sulfur containing hydroxyphenylbenztriazole PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 US disclosed