SCHEMBL30133217

SCHEMBL30133217

Oc1ccc2ccc(C3CCOCC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ESR2 Q92731 11/20 0.40
ESR1 P03372 4/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SERPINE1 P05121 1/20 0.36
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL25339334 0.80 SLC6A4 (0.51) HTR1DSLC6A2SLC6A4SLC6A3
SCHEMBL2020517 0.79 ESR2 (0.59) ESR2ESR1CYP3A4CYP2C9
SCHEMBL1628438 0.78 BACE1 (0.49) SLC6A2SLC6A4SLC6A3ESR2ESR1
SCHEMBL7809070 0.77 OPRL1 (0.61) OPRL1PIK3CDPIK3CA
SCHEMBL29991729 0.77 BACE1 (0.51) SLC6A2SLC6A4SLC6A3ESR2ESR1
SCHEMBL2698584 0.77 BACE1 (0.51) SLC6A2SLC6A4SLC6A3ESR2ESR1
SCHEMBL7968419 0.74 QDPR (0.61) SLC6A2SLC6A4SLC6A3ESR2ESR1
SCHEMBL30824511 0.73 IKBKB (0.41) HTR1D
SCHEMBL6399792 0.71 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3ESR2ESR1
SCHEMBL31063246 0.70 QDPR (0.43) HTR1DOPRL1ESR2ESR1

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-115605596-A Compositions and methods for inducible alternative splicing modulation of gene expression 费城儿童医院(US) 2023-01-13 CN disclosed