SCHEMBL6961002

SCHEMBL6961002

CCOc1cc(Br)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.47
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MITF O75030 2/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
GRK2 P25098 1/20 0.40

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
SCHEMBL13514635 0.86 AAK1 (0.47) AAK1RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL13514634 0.85 AAK1 (0.47) AAK1RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL30746576 0.85 LPAR1 (0.51) AAK1RAB9ANPC1LMNAMEN1
SCHEMBL2074231 0.85 LPAR1 (0.51) AAK1RAB9ANPC1LMNAMEN1
SCHEMBL17047591 0.83 TSHR (0.52) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL12521472 0.82 MAPK1 (0.48) AAK1RAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL23958628 0.82 AAK1 (0.49) AAK1RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL30007095 0.82 AAK1 (0.49) AAK1RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL23143981 0.82 CREBBP (0.47) RAB9AKDM4EMITFNPC1THRB
SCHEMBL29182716 0.81 ALDH1A1 (0.56) RAB9AKDM4EMITFNPC1THRB

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
WO-2013151033-A1 C-GLYCOSIDE DERIVATIVE HAVING A SPIRO RING 第一三共株式会社 (JP) 2013-10-10 WO disclosed
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
EP-1362041-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF Cerep (FR) 2003-11-19 EP disclosed
WO-2002068399-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF CEREP (FR) 2002-09-06 WO disclosed