SCHEMBL23748627

SCHEMBL23748627

CCC=CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
PKM P14618 1/20 0.51
RARB P10826 3/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.50
PLA2G4A P47712 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49

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
SCHEMBL10452299 1.00 PLA2G4B (0.54) PLA2G4BTP53TSHRRXRARXRB
SCHEMBL23748660 1.00 PLA2G4B (0.54) PLA2G4BTP53TSHRRXRARXRB
SCHEMBL5061651 0.91 PKM (0.60) PLA2G4BTP53TSHRRXRARXRB
SCHEMBL15622665 0.91 PKM (0.60) PLA2G4BTP53TSHRRXRARXRB
SCHEMBL5061656 0.91 PKM (0.60) PLA2G4BTP53TSHRRXRARXRB
SCHEMBL23978819 0.86 CA1 (0.53) PLA2G4BTP53TSHRRXRARXRB
SCHEMBL3097038 0.84 PKM (0.53) PLA2G4BTP53TSHRRXRARXRB
SCHEMBL4374887 0.84 PKM (0.53) PLA2G4BTP53TSHRRXRARXRB
SCHEMBL9225202 0.83 TSHR (0.59) PLA2G4BTP53TSHRPKMRARB
SCHEMBL10787698 0.82 PKM (0.55) PLA2G4BTP53TSHRRXRARXRB

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
EP-3864001-A1 ROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-08-18 EP disclosed