SCHEMBL25751886

SCHEMBL25751886

C=Cn1cc(CC(=O)O)nc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ENGASE Q8NFI3 1/20 0.33
OGA O60502 1/20 0.33
LMNA P02545 1/20 0.32
CYP19A1 P11511 1/20 0.31
GABRR1 P24046 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL25751888 0.83 HTT (0.30)
SCHEMBL25751856 0.83 KDM4E (0.40) KDM4EALDH1A1POLBTDP1HSD17B10
SCHEMBL21368401 0.75 SMN1; SMN2 (0.34)
SCHEMBL21368402 0.75
SCHEMBL21367898 0.73 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL22515639 0.68 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL21375807 0.68 GRM2 (0.38) KDM4EALDH1A1
SCHEMBL24738058 0.67 MAPT (0.48) L3MBTL1ALDH1A1GAAMAPT
SCHEMBL31006016 0.67 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1POLBTDP1
SCHEMBL14445097 0.66 PTGS2 (0.44) L3MBTL1KDM4EALDH1A1POLBTDP1

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
WO-2023122782-A2 INDOLES, INDAZOLES, AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 WO disclosed