SCHEMBL14423904

SCHEMBL14423904

C[C@H]1CC[C@H]2C3CCc4c(ccc(O)c4O)[C@H]3CCC12C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.77
ESR2 Q92731 8/20 0.77
LMNA P02545 4/20 0.77
MEN1 O00255 3/20 0.77
MAPT P10636 3/20 0.77
KMT2A Q03164 3/20 0.77
KDM4E B2RXH2 2/20 0.77
GAA P10253 2/20 0.77
G6PD P11413 2/20 0.77
PKM P14618 2/20 0.77
MAPK1 P28482 2/20 0.77
MPI P34949 1/20 0.77
CYP19A1 P11511 3/20 0.62
STS P08842 6/20 0.57
HSD17B10 Q99714 3/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL224398 0.87 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL12027477 0.87 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL29506781 0.87 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL13123059 0.87 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL224399 0.87 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL6009933 0.87 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL5470926 0.81 ESR1 (0.72) ESR1ESR2LMNAMEN1MAPT
SCHEMBL10079009 0.80 ESR1 (0.51) ESR1ESR2LMNAMEN1MAPT
SCHEMBL19677988 0.80 ESR1 (0.77) ESR1ESR2LMNAMEN1MAPT
SCHEMBL10323852 0.80 ESR1 (0.77) ESR1ESR2LMNAMEN1MAPT

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
WO-2007107383-A1 INDOLE DERIVATIVES AS INHIBITORS OF THE SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO disclosed