SCHEMBL7327747

SCHEMBL7327747

[CH2]CCCCc1ccc([S+]([O-])C(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSPD1 P10809 1/20 0.31
ADRB3 P13945 1/20 0.31
HTR2C P28335 1/20 0.31
HSPE1 P61604 1/20 0.31
HIF1A Q16665 1/20 0.31
TST Q16762 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
SCHEMBL5534974 0.80 LPL (0.34) CA2ESR1ADRA2AADORA3TACR2
SCHEMBL5543419 0.79 ESR1 (0.36) CA2ESR1ADRA2AADORA3TACR2
SCHEMBL5540618 0.74 LPL (0.32) CA2ESR1ADRA2AADORA3TACR2
SCHEMBL21587159 0.74 CA2 (0.38) CA2ALDH1A1LMNATP53
SCHEMBL23542738 0.72 ALDH1A1 (0.41) ESR1ALDH1A1LMNAADRB3CHRM1
SCHEMBL1610650 0.72 IDO1 (0.44) ALDH1A1LMNAHTR2A
SCHEMBL8123794 0.72 SIGMAR1 (0.41) ESR1LMNAADRB3PTGS1PTGS2
SCHEMBL7333856 0.71 ESR1 (0.45) CA2ESR1ADRA2AADORA3TACR2
SCHEMBL1611430 0.71 IDO1 (0.42) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1609901 0.71 IDO1 (0.42) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed