SCHEMBL28880726

SCHEMBL28880726

CCOc1c[nH]c(C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KDM4E B2RXH2 2/20 0.38
MAPK8 P45983 1/20 0.37
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALPL P05186 1/20 0.34
PLA2G4B P0C869 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32

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
SCHEMBL28745742 0.75 ALDH1A1 (0.39) MAPTKDM4EMAPK8ALDH1A1HPGD
SCHEMBL22777772 0.72 SMPD1 (0.47) TSHR
SCHEMBL300079 0.72 HCAR2 (0.35) KDM4EALDH1A1
SCHEMBL4265925 0.71 KDM4C (0.33) MAPTMAPK8ALDH1A1BTK
SCHEMBL28178416 0.71
SCHEMBL7826351 0.70 KMT2A (0.44) KDM4EHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL19330178 0.69 MAPT (0.59) MAPTKDM4EMAPK8TSHRHSD17B10
Methane SCHEMBL28185823 0.69 LMNA (0.32) MAPTKDM4EMAPK8HSD17B10ALDH1A1
SCHEMBL148063 0.69
SCHEMBL15284409 0.68 HCAR2 (0.42) MAPTKDM4ETSHRHSD17B10ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110545850-A Releasable conjugates QUIAPEG PHARMACEUTICALS AB 2019-12-06 CN disclosed