SCHEMBL8022128

SCHEMBL8022128

O=C(NC1CC1C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.59
TAS1R3 Q7RTX0 3/20 0.58
TAS1R2 Q8TE23 2/20 0.58
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
F10 P00742 1/20 0.47
SSTR3 P32745 3/20 0.47
HPGD P15428 2/20 0.47
CHRNA7 P36544 2/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45

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
SCHEMBL8025278 0.81 GRM5 (0.59) MEN1NPC1PKMRAB9AKMT2A
SCHEMBL29127266 0.77 TDP1 (0.50) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL15337002 0.74 KMO (1.00) KMOTSHRKDM4EMEN1NPC1
SCHEMBL21974233 0.74 KMO (1.00) KMOTSHRKDM4EMEN1NPC1
SCHEMBL31060580 0.74 KMO (1.00) KMOTSHRKDM4EMEN1NPC1
SCHEMBL4753610 0.74 KMO (1.00) KMOTSHRKDM4EMEN1NPC1
SCHEMBL5310798 0.74 KMO (1.00) KMOTSHRKDM4EMEN1NPC1
SCHEMBL6823764 0.74 TAS1R3 (0.56) TAS1R3TAS1R2TSHRKDM4EMEN1
SCHEMBL9699898 0.74 TAS1R3 (0.71) TAS1R3TAS1R2KMT2AF10SSTR3
SCHEMBL3366745 0.74 TAS1R3 (0.71) TAS1R3TAS1R2KMT2AF10SSTR3

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