SCHEMBL29577693

SCHEMBL29577693

Cc1cc(C2(C)CCC(C(C)(C)c3ccc(O)c(C)c3)CC2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.45
ESR2 Q92731 9/20 0.45
AR P10275 3/20 0.38
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL835753 1.00 ESR1 (0.45) ESR1ESR2ARTDP1TP53
SCHEMBL12606670 0.84 ESR1 (0.58) ESR1ESR2ARTDP1TP53
SCHEMBL12606730 0.81 ESR1 (0.54) ESR1ESR2ARTDP1TP53
SCHEMBL12606671 0.81 ESR1 (0.54) ESR1ESR2ARTDP1TP53
SCHEMBL836820 0.80 ACHE (0.41) ESR1ESR2CNR1CNR2
SCHEMBL9572377 0.79 RORC (0.52)
SCHEMBL9803635 0.78 ESR1 (0.54) ESR1ESR2ARTDP1TP53
SCHEMBL9615429 0.78 GABRA1 (0.40) ESR1ESR2MEN1LMNAMAPT
SCHEMBL2855402 0.78 ESR2 (0.38) ESR1ESR2ARLMNA
SCHEMBL19842173 0.77 ESR1 (0.39) ESR1ESR2

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
CN-110431177-B Curable composition, in particular as primer for the adhesion of crystalline rubbers to substrates 汉高股份有限及两合公司 2022-03-01 CN disclosed