SCHEMBL7476539

SCHEMBL7476539

CC(=O)N1c2ccccc2CC1C(C)(C)C.CC(C)(C)C1Cc2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B3 P37058 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 2/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 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
SCHEMBL6973769 0.86 NOTUM (0.64) NOTUMHSD17B3SMN1; SMN2ALDH1A1TSHR
SCHEMBL3796963 0.78 NOTUM (0.51) NOTUMALDH1A1NPC1CYP1A2CYP2C19
SCHEMBL26262448 0.77 GAA (0.46) GAAMAPTTSHREPHX2
SCHEMBL397465 0.77 GAA (0.46) GAAMAPTTSHREPHX2
SCHEMBL22417606 0.77 GAA (0.46) GAAMAPTTSHREPHX2
SCHEMBL13108777 0.71 NOTUM (0.48) NOTUMSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL10167044 0.67 NOTUM (1.00) NOTUMMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL2586534 0.67 NOTUM (1.00) NOTUMMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL5523654 0.67 NOTUM (1.00) NOTUMMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL28253303 0.67 GAA (0.44) GAAMAPTTSHREPHX2

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
EP-1181288-A1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY (US) 2002-02-27 EP disclosed
WO-2000073301-A1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY (US) 2000-12-07 WO disclosed