SCHEMBL31332706

SCHEMBL31332706

COC(C)(CNC(=O)CC1CCCCC1)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.53
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
EPHX1 P07099 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL31332613 0.89 ALDH1A1 (0.46) EPHX2NPC1RAB9AEPHX1TDP1
SCHEMBL31332634 0.85 EPHX1 (0.54) EPHX2NPC1EPHX1L3MBTL1ALDH1A1
SCHEMBL31332705 0.85 EPHX1 (0.54) EPHX2NPC1EPHX1L3MBTL1ALDH1A1
SCHEMBL31332801 0.81 EPHX2 (0.49) EPHX2NPC1RAB9AEPHX1L3MBTL1
SCHEMBL31332653 0.81 EPHX2 (0.49) EPHX2NPC1RAB9AEPHX1L3MBTL1
SCHEMBL31332799 0.80 POLB (0.53) EPHX2NPC1RAB9AEPHX1L3MBTL1
SCHEMBL31332624 0.78 TAAR1 (0.39) EPHX2EPHX1L3MBTL1ALDH1A1GAA
SCHEMBL31332732 0.78 TAAR1 (0.39) EPHX2EPHX1L3MBTL1ALDH1A1GAA
SCHEMBL31332770 0.76 NPC1 (0.44) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL31332716 0.75 KMT2A (0.37) RAB9AALDH1A1HPGDSMN1; SMN2

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-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed