SCHEMBL23399175

SCHEMBL23399175

Cc1ccccc1-c1c(O)c(-c2ccccc2)nn1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CNR2 P34972 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
TNNI3 P19429 1/20 0.35
CRHBP P24387 1/20 0.35

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
SCHEMBL23398456 0.87 CNR2 (0.40) ALDH1A1SMN1; SMN2CNR2CA1CA2
SCHEMBL23402723 0.85 CA1 (0.48) PTGDR2ESR1SMN1; SMN2ACHEBACE1
SCHEMBL23401720 0.84 RAB9A (0.44) ALDH1A1SMN1; SMN2CNR2KMT2AKDM4E
SCHEMBL23401771 0.84 RAB9A (0.44) ALDH1A1SMN1; SMN2CNR2KMT2AKDM4E
SCHEMBL23400344 0.83 PIK3CD (0.34) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL23401700 0.83 ESR1 (0.51) PTGDR2ESR1CA1CA2KMT2A
SCHEMBL23401196 0.82 ALDH1A1 (0.36) FABP4ALDH1A1SMN1; SMN2CNR2KMT2A
SCHEMBL23403368 0.82 LMNA (0.41) FABP4ALDH1A1SMN1; SMN2RXRARXRB
SCHEMBL23400992 0.81 MEN1 (0.50) PTGDR2ESR1KMT2AMEN1CRHBP
SCHEMBL23402896 0.80 CNR2 (0.40) PTGDR2ALDH1A1SMN1; SMN2CNR2KMT2A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed