SCHEMBL17656255

SCHEMBL17656255

CCC(C)c1ccc2c3c(ccc2c1)-c1ccc(C)cc1OC3

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.32
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
DHODH Q02127 1/20 0.31
USP2 O75604 2/20 0.31
ALOX15 P16050 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2756468 0.88 LMNA (0.35) PGRDHODHUSP2ALOX15KDM4E
SCHEMBL14985628 0.83 KDM4E (0.39) PGRDHODHUSP2ALOX15ALDH1A1
SCHEMBL9980128 0.83 LMNA (0.35) PGRDHODHUSP2ALOX15ALDH1A1
SCHEMBL15463302 0.80 ESRRB (0.36) PGRESRRBESRRADHODHUSP2
SCHEMBL2705798 0.79 LMNA (0.35) PGRESRRBESRRAUSP2ALOX15
SCHEMBL2756788 0.79 DHODH (0.36) PGRDHODHUSP2ALOX15ALDH1A1
SCHEMBL14985621 0.78 ESRRB (0.36) PGRESRRBESRRADHODHUSP2
SCHEMBL9980113 0.74 ESR1 (0.35) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL2756786 0.74 ESR1 (0.35) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL10278824 0.74 DHODH (0.41) PGRDHODHUSP2ALOX15ALDH1A1

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-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed