SCHEMBL25899581

SCHEMBL25899581

CCC(C)c1cnnc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL799396 0.79 LMNA (0.32)
SCHEMBL17247519 0.78 USP2 (0.41) USP2ALDH1A1GAAPKMHPGD
SCHEMBL23541951 0.76 CYP11B2 (0.38) USP2ALDH1A1GAAPKMHPGD
SCHEMBL24768964 0.75 ESR1 (0.31)
SCHEMBL13531018 0.74 ALDH1A1 (0.38) USP2ALDH1A1GAAPKMHPGD
SCHEMBL8738095 0.74 ALDH1A1 (0.38) USP2ALDH1A1GAAPKMHPGD
SCHEMBL19380148 0.69 HCAR2 (0.35) USP2ALDH1A1GAAPKMHPGD
SCHEMBL10496105 0.68 UHRF1 (0.45) USP2ALDH1A1GAAPKMHPGD
SCHEMBL19453371 0.68 ALDH1A1 (0.34) USP2ALDH1A1GAAPKMHPGD
SCHEMBL11686432 0.67 ALDH1A1 (0.46) USP2ALDH1A1GAAPKMHPGD

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
WO-2023139534-A1 SPIROCYCLIC PIPERIDINYL DERIVATIVES AS COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2023-07-27 WO disclosed
EP-3350165-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-07-26 EP disclosed