SCHEMBL8018895

SCHEMBL8018895

CC(C)(C)OC(=O)N(C(=O)c1cccc(Br)c1)C1CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
GRK2 P25098 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
BACE1 P56817 1/20 0.34
HPGD P15428 1/20 0.33
TP53BP1 Q12888 1/20 0.33

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
SCHEMBL8018985 0.86 OPRM1 (0.39) MEN1KMT2APARP1ALDH1A1TDP1
SCHEMBL8025166 0.86 GAA (0.42) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL8025266 0.81 TAS1R3 (0.37) MEN1KMT2ARAB9ABACE1
SCHEMBL1401073 0.74 PARP1 (0.46) MEN1KMT2ASMN1; SMN2PARP1ALDH1A1
SCHEMBL8025122 0.73 MEN1 (0.42) MEN1KMT2ASMN1; SMN2PARP1ALDH1A1
SCHEMBL1855104 0.68 PARP1 (0.52) MEN1KMT2ASMN1; SMN2PARP1ALDH1A1
SCHEMBL8020026 0.67 BACE1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL20974387 0.67 LMNA (0.39) MEN1KMT2ASMN1; SMN2PARP1ALDH1A1
SCHEMBL8008104 0.66 KMO (0.55) MEN1KMT2ASMN1; SMN2PARP1ALDH1A1
SCHEMBL13310394 0.65 HRH3 (0.47) MEN1KMT2ASMN1; SMN2TDP1NPC1

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-0973720-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-26 EP disclosed
WO-1998040344-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1998-09-17 WO disclosed