SCHEMBL8557904

SCHEMBL8557904

CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3)ccc2O1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.73
TRIM24 O15164 1/20 0.65
BRD1 O95696 1/20 0.65
BRPF1 P55201 1/20 0.65
GHSR Q92847 2/20 0.53
CYP2D6 P10635 2/20 0.53
MLNR O43193 1/20 0.53
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
PKLR P30613 2/20 0.51
DAGLA Q9Y4D2 5/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.49
BRD4 O60885 1/20 0.48
MAPT P10636 1/20 0.48
ABHD6 Q9BV23 2/20 0.48
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46

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
SCHEMBL8557528 0.86 PKM (0.71) PKMTRIM24BRD1BRPF1GHSR
SCHEMBL10154341 0.83 PKM (0.66) PKMTRIM24BRD1BRPF1GHSR
SCHEMBL10239988 0.79 PKM (0.67) PKMTRIM24BRD1BRPF1GHSR
SCHEMBL21857637 0.79 PFKFB3 (0.58) PKMTRIM24BRD1BRPF1GHSR
SCHEMBL794002 0.79 PKM (0.58) PKMTRIM24BRD1BRPF1GHSR
SCHEMBL22062310 0.78 DAGLA (0.54) PKMTRIM24BRD1BRPF1GHSR
Hydrochloric Acid SCHEMBL9957679 0.78 PKM (0.66) PKMTRIM24BRD1BRPF1GHSR
SCHEMBL639690 0.77 PKM (0.58) PKMTRIM24BRD1BRPF1GHSR
SCHEMBL4521621 0.77 PKM (0.58) PKMTRIM24BRD1BRPF1GHSR
SCHEMBL30511906 0.77 PKM (0.58) PKMTRIM24BRD1BRPF1GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1185153-A Benzopyrans and pharmaceutical composition contg. same CIBA GEIGY AG (CH) 1998-06-17 CN disclosed
EP-0828733-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novartis AG (CH) 1998-03-18 EP disclosed
WO-1996037490-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-11-28 WO disclosed