SCHEMBL8631398

SCHEMBL8631398

CCC(Cc1ccc(N(C)C)cc1)(C(=O)c1ccccc1)N(C)C.CCC(Cc1ccc(OC)cc1)(C(=O)c1ccccc1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 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
SCHEMBL4651502 0.94 ACHE (0.48) ACHERAB9AMAPTNPC1TP53
SCHEMBL4812459 0.92 RAB9A (0.47) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL4651504 0.89 ACHE (0.51) ACHERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL58499 0.86 KMT2A (0.51) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL7943207 0.85 LMNA (0.47) ACHERAB9AMAPTNPC1TP53
SCHEMBL8897587 0.84 ACHE (0.57) ACHERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4650526 0.82 RIPK1 (0.43) RAB9ANPC1SMN1; SMN2TSHRKMT2A
Benzene SCHEMBL28672020 0.82 RIPK1 (0.43) RAB9ANPC1SMN1; SMN2TSHRKMT2A
SCHEMBL8899530 0.82 ACHE (0.51) ACHERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5590415 0.81 L3MBTL1 (0.45) ACHERAB9AMAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849411-A Polymer film, nonwoven web and fibers containing a photoreactor composition KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-15 US disclosed
US-5747550-A Method of generating a reactive species and polymerizing an unsaturated polymerizable material KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-05-05 US disclosed