SCHEMBL8733474

SCHEMBL8733474

CCOC(=O)COc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
TBXA2R P21731 4/20 0.55
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.47
NPY5R Q15761 1/20 0.46
ATM Q13315 1/20 0.45
GBA1 P04062 1/20 0.45

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
SCHEMBL8730030 0.87 TBXA2R (0.61) TBXA2RTSHRALOX15NPY5RGBA1
SCHEMBL8728448 0.84 TBXA2R (0.71) TBXA2RALDH1A1GBA1
SCHEMBL8728445 0.81 TBXA2R (0.57) TBXA2RALDH1A1NPY5RGBA1
SCHEMBL8731672 0.80 TBXA2R (0.61) POLBTBXA2RSMN1; SMN2ALDH1A1LMNA
SCHEMBL8733707 0.80 TBXA2R (0.53) TBXA2RTSHRALDH1A1GAALMNA
SCHEMBL11363199 0.79 TSHR (0.75) POLBTBXA2RTSHRSMN1; SMN2ALDH1A1
SCHEMBL8982158 0.79 TBXA2R (0.57) POLBTBXA2RSMN1; SMN2ALDH1A1LMNA
SCHEMBL8729260 0.78 POLB (0.46) POLBTSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL8730152 0.78 TBXA2R (0.64) TBXA2RTSHRALOX15
SCHEMBL8768150 0.76 ADRB3 (0.44) POLBTSHRALDH1A1GAANPSR1

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-5750524-A ADMINISTERING AN SULFAMIDE SUBSTITUTED INDAN DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed