SCHEMBL31143045

SCHEMBL31143045

CCOC(=O)C1CCc2c(OC)ccc(F)c2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL31143027 0.83 CYP1A2 (0.67) KMT2ACYP1A2HTTPDE4APDE4B
SCHEMBL30047239 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL23857269 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL10983820 0.77 CYP1A2 (0.61) CYP1A2KDM4ECA1CA2POLB
SCHEMBL30334623 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL9370934 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL6075563 0.76 KDM4E (0.55) ALDH1A1KMT2ACYP1A2KDM4EHPGD
SCHEMBL31143068 0.76 PDE4A (0.40) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL10622306 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL3949856 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1ATML3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4660185-A1 NAV1.7- AND/OR NAV1.8-INHIBITING AMIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS Eurofarma Laboratórios S.A. (BR) 2025-12-10 EP disclosed
WO-2024159288-A1 NAV1.7- AND/OR NAV1.8-INHIBITING AMIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2024-08-08 WO disclosed