SCHEMBL18913044

SCHEMBL18913044

CC(=O)c1ccc(C(=O)OCc2ccc(C=O)o2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
HSP90AA1 P07900 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL18894874 0.93 TSHR (0.51) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL26078289 0.89 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL18895074 0.87 TSHR (0.46) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL28619851 0.86 TSHR (0.45) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL278334 0.84 TSHR (0.63) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL51038 0.81 ALDH1A1 (0.55) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL29219910 0.77 ALDH1A1 (0.47) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL25003537 0.77 ALDH1A1 (0.38) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL11987592 0.77 ALDH1A1 (0.50) SMN1; SMN2LMNATSHRALDH1A1HPGD
SCHEMBL11805964 0.77 ALDH1A1 (0.45) SMN1; SMN2LMNAMEN1KMT2ATSHR

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
WO-2018093413-A1 ORGANOTIN CATALYSTS IN ESTERIFICATION PROCESSES OF FURAN-2,5-DICARBOXYLIC ACID (FDCA) ARCHER DANIELS MIDLAND COMPANY (US) 2018-05-24 WO disclosed
WO-2017091437-A1 ORGANOTIN CATALYSTS IN ESTERIFICATION PROCESSES OF FURAN-2,5-DICARBOXYLIC ACID (FDCA) ARCHER DANIELS MIDLAND COMPANY (US) 2017-06-01 WO disclosed