SCHEMBL25148643

SCHEMBL25148643

O=C(O)c1cc2c(c([SH](=O)=O)c1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
AMPD3 Q01432 1/20 0.38
RXRB P28702 6/20 0.36
RXRA P19793 5/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
DAO P14920 1/20 0.35
RXRG P48443 4/20 0.35
NLRP3 Q96P20 3/20 0.35
SRD5A1 P18405 3/20 0.33
SRD5A2 P31213 3/20 0.33
SLC16A3 O15427 1/20 0.33
KDM1A O60341 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL16250244 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL4258102 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL25148593 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL11734471 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL11984315 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL11735852 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL11728495 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL11977471 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL25148633 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTAMPD3RXRB
SCHEMBL27899887 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTAMPD3RXRB

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-2023062627-A1 HERBICIDES AND USE THEREOF PROJINI AGCHEM LTD (IL) 2023-04-20 WO disclosed