SCHEMBL23978221

SCHEMBL23978221

C[S+]([O-])c1cc(C(=O)O)ccc1COc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.59
MRGPRX4 Q96LA9 5/20 0.52
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
PTGER4 P35408 1/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 1/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PPARA Q07869 1/20 0.44

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
SCHEMBL23978280 0.78 NR4A2 (0.66) NR4A2MRGPRX4NR4A1NR4A3PTGER4
SCHEMBL23978010 0.76 NR4A2 (0.60) NR4A2MRGPRX4NR4A1NR4A3RXRA
SCHEMBL23978219 0.76 NR4A2 (0.60) NR4A2MRGPRX4NR4A1NR4A3PTGER4
SCHEMBL23978033 0.76 MRGPRX4 (0.69) NR4A2MRGPRX4NR4A1NR4A3PTGER4
SCHEMBL23978233 0.73 POLB (0.62) NR4A2MRGPRX4NR4A1NR4A3MAOB
SCHEMBL3980330 0.71 NR4A2 (0.64) NR4A2MRGPRX4NR4A1NR4A3PTGER4
SCHEMBL1369316 0.70 NR4A2 (1.00) NR4A2MRGPRX4NR4A1NR4A3RXRA
SCHEMBL38659231 0.70 NR4A2 (0.71) NR4A2MRGPRX4NR4A1NR4A3RXRA
SCHEMBL18687045 0.70 NR4A2 (0.66) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL1177867 0.69 NR4A2 (0.70) NR4A2MRGPRX4NR4A1NR4A3RXRA

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-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 WO disclosed