SCHEMBL30267115

SCHEMBL30267115

CC1C(NC(=O)O)CC2CC1C2(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
SIGMAR1 Q99720 2/20 0.58
EPHX2 P34913 1/20 0.51
DPP4 P27487 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CPB2 Q96IY4 1/20 0.40
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CYP19A1 P11511 7/20 0.38
CYP17A1 P05093 3/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL2895322 1.00 TDP1 (0.64) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL2895324 1.00 TDP1 (0.64) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL2895326 1.00 TDP1 (0.64) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL172785 0.86 TDP1 (0.60) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL944228 0.86 TDP1 (0.60) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL23170436 0.84 TDP1 (0.58) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL13028980 0.83 TDP1 (0.57) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL172970 0.81 SIGMAR1 (0.61) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL24105937 0.81 TDP1 (0.56) TDP1SIGMAR1EPHX2DPP4NR1H2
SCHEMBL4872520 0.80 SIGMAR1 (0.60) TDP1SIGMAR1EPHX2DPP4NR1H2

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-4126864-A1 RIP1K INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed