SCHEMBL22640296

SCHEMBL22640296

COC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.86
NPC1 O15118 12/20 0.86
SMN1; SMN2 Q16637 6/20 0.86
TP53 P04637 5/20 0.86
ALOX15 P16050 1/20 0.86
KMT2A Q03164 7/20 0.78
MEN1 O00255 4/20 0.78
KDM4E B2RXH2 2/20 0.78
MAPT P10636 2/20 0.78
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
ATM Q13315 1/20 0.71
ALDH1A1 P00352 6/20 0.70
PKM P14618 2/20 0.70
HPGD P15428 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 1/20 0.68
GAA P10253 1/20 0.68
CYP2D6 P10635 1/20 0.68

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
SCHEMBL6799157 0.93 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6263820 0.91 NPC1 (0.83) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8660366 0.91 NPC1 (0.83) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL28614998 0.88 MAPT (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL330082 0.86 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15

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
EP-3049387-B1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & CO (US) 2020-11-11 EP disclosed