SCHEMBL11242838

SCHEMBL11242838

COc1ccc(C2Oc3ccc(Cl)cc3CC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAOB P27338 5/20 0.42
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 1/20 0.42
PGR P06401 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
ABCB1 P08183 1/20 0.39
AR P10275 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
KCNA5 P22460 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL10536112 0.88 HRH4 (0.36) MAOBCYP19A1PGRARMEN1
SCHEMBL7195895 0.87 ALDH1A1 (0.50) LMNAMAOBCYP19A1CYP3A4GABRA1
SCHEMBL6700954 0.82 CYP19A1 (0.45) MAOBCYP19A1PGRNPC1RAB9A
SCHEMBL18893709 0.82 MAOB (0.53) LMNAMAOBCYP19A1CYP3A4GABRA1
SCHEMBL126193 0.82 ABCG2 (0.55) LMNAMAOBCYP19A1CYP3A4GABRA1
SCHEMBL127705 0.81 MAPT (0.52) LMNAMAOBCYP19A1CYP3A4GABRA1
SCHEMBL27543000 0.79 ESR2 (0.44) MAOBCYP19A1CYP3A4ARMEN1
SCHEMBL7030025 0.79 LMNA (0.48) LMNAMAOBCYP19A1CYP3A4GABRA1
SCHEMBL29020379 0.78 ALDH1A1 (0.49) LMNAMAOBCYP19A1CYP3A4GABRA1
SCHEMBL28710319 0.74 CYP19A1 (0.53) LMNAMAOBCYP19A1CYP3A4MAPT

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-0004579-B1 FLAVANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1982-08-18 EP claimed