SCHEMBL9869769

SCHEMBL9869769

COc1cc2c(cc1S(=O)(=O)c1ccccc1)CCC(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
PKM P14618 2/20 0.42
PKLR P30613 1/20 0.42
OPRM1 P35372 1/20 0.41
PDE4D Q08499 1/20 0.41
DAGLA Q9Y4D2 5/20 0.41
MAPT P10636 1/20 0.40
PLCG2 P16885 1/20 0.40
GHSR Q92847 1/20 0.40
ABHD6 Q9BV23 2/20 0.40
PDE10A Q9Y233 1/20 0.40
COXFA4 O00483 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL9293231 0.79 MAOB (0.46) HTR6PKMMAPTTP53RXFP1
SCHEMBL9521842 0.77 HTR6 (0.42) HTR6PKMMAPTTP53RXFP1
SCHEMBL9293420 0.76 TLR3 (0.44) HTR6PKMMAPTTP53RXFP1
SCHEMBL577986 0.76 BCHE (0.49) OPRM1PDE4DMAPTPLCG2GHSR
SCHEMBL12569163 0.73 KMT2A (0.44) OPRM1PDE4DDAGLAMAPTABHD6
SCHEMBL9294310 0.72 HIF1A (0.48) HTR6
SCHEMBL10704500 0.72 HTR2C (0.57) HTR6CYP3A4
SCHEMBL546729 0.71 BCHE (0.65) OPRM1PDE4DPDE10ACOXFA4
SCHEMBL29401664 0.71 BCHE (0.65) OPRM1PDE4DPDE10ACOXFA4
SCHEMBL9294550 0.71 HTR6 (0.45) HTR6PKMMAPTTP53RXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043344-A Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0337179-A1 Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-18 EP disclosed