SCHEMBL28023565

SCHEMBL28023565

CC(C)CCSc1ccccc1.[BaH2]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 1/20 0.58
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
METAP2 P50579 1/20 0.43
AR P10275 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 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
SCHEMBL638290 0.98 ALDH1A1 (0.61) ALDH1A1MAPK1MAOAMAOBNPC1
SCHEMBL1497108 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBSMN1; SMN2
SCHEMBL4761158 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1MAOAMAOBNPC1
SCHEMBL9407999 0.82 ALDH1A1 (0.52) ALDH1A1MAPK1MAOAMAOBSMN1; SMN2
SCHEMBL8839825 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBNPC1
SCHEMBL9476134 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBNPC1
SCHEMBL1540052 0.81 MAOA (0.64) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL1540090 0.81 MAOA (0.64) ALDH1A1MAPK1MAOAMAOBMTNR1A
SCHEMBL5303417 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBNPC1
SCHEMBL1540051 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1MAOAMAOBNPC1

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
CN-104955926-B For improving the lubricant compositions for including epoxide compound of fluoropolymer sealant compatibility 巴斯夫欧洲公司 2018-06-22 CN disclosed
CN-104955926-A Lubricant compositions comprising epoxide compounds to improve fluoropolymer seal compatibility BASF SE 2015-09-30 CN disclosed
CN-104884592-A Lubricant compositions comprising epoxide compounds to improve fluoropolymer seal compatibility BASF SE 2015-09-02 CN disclosed
CN-104870622-A Lubricant compositions comprising epoxide compounds BASF SE 2015-08-26 CN disclosed