SCHEMBL28425569

SCHEMBL28425569

O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC1C2CC3CC1CC(O)(C3)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 1.00
HSD11B1 P28845 3/20 0.48
HSD11B2 P80365 2/20 0.48
NAMPT P43490 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
S1PR2 O95136 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL28424057 0.86 EPHX2 (1.00) EPHX2HSD11B1NAMPTNPC1RAB9A
SCHEMBL30165693 0.76 EPHX2 (1.00) EPHX2
SCHEMBL28421290 0.74 EPHX2 (1.00) EPHX2HSD11B1NAMPT
SCHEMBL13602126 0.73 EPHX2 (0.58) EPHX2HSD11B1RAB9AHTTLMNA
SCHEMBL30165708 0.72 EPHX2 (0.61) EPHX2NAMPTNPC1RAB9ATP53
SCHEMBL30165699 0.71 EPHX2 (0.59) EPHX2HSD11B1ALDH1A1HPGD
SCHEMBL28431225 0.67 EPHX2 (1.00) EPHX2
SCHEMBL18286169 0.67 SMN1; SMN2 (0.71) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL4105218 0.67 EPHX2 (0.66) EPHX2HSD11B1LMNA
SCHEMBL31054288 0.66 HPGD (0.68) EPHX2NAMPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN claimed
CN-111423396-A sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2020-07-17 CN claimed
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN disclosed
CN-111423396-A sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2020-07-17 CN disclosed