SCHEMBL29849129

SCHEMBL29849129

Cc1cccc(C2(c3cccc(C)c3-c3ccc(O)cc3)CCCCC2)c1-c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.44
ESR2 Q92731 6/20 0.44
PGR P06401 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 2/20 0.36
PDE7A Q13946 1/20 0.36
CNR1 P21554 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HDAC4 P56524 1/20 0.36
MAPK1 P28482 2/20 0.34
GAA P10253 2/20 0.34
MAP2K4 P45985 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPK6 Q16659 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7617230 0.86 ALDH1A1 (0.46) ESR1ESR2PGRACHEPDE7A
SCHEMBL23581823 0.76 ACHE (0.48) ESR1ESR2ACHEPDE7AHDAC4
SCHEMBL7948439 0.76 PDK2 (0.38) ESR1ESR2PGRACHEHTT
SCHEMBL6288837 0.75 SENP1 (0.56) ESR1ESR2SENP1ACHEMAPK1
SCHEMBL9656072 0.74 ALDH1A1 (0.50) ESR1ESR2ACHEPDE7AHDAC4
SCHEMBL28596627 0.74 ESR2 (0.47) ESR1ESR2PGRGPR55MAPK1
SCHEMBL15996375 0.74 ESR1 (0.61) ESR1ESR2ACHEHTTCNR1
SCHEMBL29577228 0.72 PGR (0.39) ESR1ESR2PGRHDAC4ALDH1A1
SCHEMBL23854349 0.72 MAOA (0.39) ESR1ESR2SENP1MAPK1MAP2K4
SCHEMBL8609713 0.72 HDAC4 (0.50) ESR1ESR2ACHEPDE7AHDAC4

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
US-11443154-B2 Code, information processing system, and information processing device HITACHI, LTD. (JP) 2022-09-13 US disclosed