SCHEMBL18306502

SCHEMBL18306502

CNC(=O)[C@@H](C)[C@@H]1CC2CCC[C@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
EPHX2 P34913 2/20 0.33
MMP8 P22894 1/20 0.33
ADAM17 P78536 1/20 0.33
CHRM1 P11229 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL19648343 1.00 MMP1 (0.35) MMP1MMP9MMP14MMP2MMP3
SCHEMBL16664444 1.00 MMP1 (0.35) MMP1MMP9MMP14MMP2MMP3
SCHEMBL17055731 1.00 MMP1 (0.35) MMP1MMP9MMP14MMP2MMP3
SCHEMBL19541987 0.85 EPHX2 (0.41) MMP1MMP9MMP14MMP2EPHX2
SCHEMBL23011460 0.84 MMP1 (0.42) MMP1MMP9MMP14MMP2MMP3
SCHEMBL18885414 0.80 EPHX1 (0.35) EPHX2ALDH1A1
SCHEMBL18885416 0.80 EPHX1 (0.35) EPHX2ALDH1A1
SCHEMBL6392066 0.79 MMP1 (0.42) MMP1MMP9MMP14MMP2MMP3
SCHEMBL31547122 0.79 MMP1 (0.42) MMP1MMP9MMP14MMP2MMP3
SCHEMBL19009035 0.79

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-2847198-B1 TETRAHYDRO[1,8]NAPHTHYRIDINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF ROR-GAMMA AND THE TREATMENT OF DISEASE LYCERA CORP (US) 2016-12-14 EP disclosed