SCHEMBL5013121

SCHEMBL5013121

Cc1c(OC(=O)O)c(OC(=O)O)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
PDE10A Q9Y233 2/20 0.45
TSHR P16473 2/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSPO P30536 1/20 0.40
DHODH Q02127 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
LTB4R Q15722 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
NUDT1 P36639 1/20 0.39

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
SCHEMBL2361637 0.79 KDM4E (0.41) HTTPDE10ATSHRKDM4EALDH1A1
SCHEMBL377269 0.78 PDE10A (0.53) HTTPDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9348953 0.78 TSPO (0.45) PDE10AKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL5183047 0.77 POLB (0.55) HTTPDE10ATSHRKDM4EALDH1A1
SCHEMBL377125 0.77 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Water SCHEMBL8130350 0.75 POLB (0.53) HTTPDE10ATSHRKDM4EALDH1A1
SCHEMBL29113961 0.75 HTT (0.50) HTTPDE10ATSHRKDM4EALDH1A1
SCHEMBL18075813 0.75 PDE10A (0.61) PDE10ATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4729382 0.74 ERN1 (0.54) HTTPDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3234898 0.74 GAA (0.56) PDE10AKDM4EALDH1A1SMN1; SMN2POLB

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-1888817-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
WO-2006125761-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed