SCHEMBL8733707

SCHEMBL8733707

COc1ccc(S(=O)(=O)NCC2Cc3ccc(OCC(=O)O)cc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.53
ALDH1A1 P00352 7/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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 0.90 TBXA2R (0.61) TBXA2RTSHR
SCHEMBL8730152 0.89 TBXA2R (0.64) TBXA2RTSHR
SCHEMBL8730099 0.86 TBXA2R (0.66) TBXA2RTSHRMEN1KMT2A
SCHEMBL8757138 0.84 TBXA2R (0.62) TBXA2RALDH1A1TSHRMEN1KMT2A
SCHEMBL8757815 0.83 TBXA2R (0.54) TBXA2RALDH1A1PKMGAALMNA
SCHEMBL8758402 0.82 TBXA2R (0.63) TBXA2RALDH1A1PKMLMNATSHR
SCHEMBL8734682 0.82 ALDH1A1 (0.50) TBXA2RALDH1A1PKMGAALMNA
SCHEMBL8733706 0.82 TBXA2R (0.50) TBXA2RALDH1A1PKMGAALMNA
SCHEMBL8734674 0.80 AKR1C3 (0.49) TBXA2RALDH1A1PKMGAALMNA
SCHEMBL8733474 0.80 POLB (0.55) TBXA2RALDH1A1GAALMNATSHR

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-5750524-A ADMINISTERING AN SULFAMIDE SUBSTITUTED INDAN DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0773019-A1 HYPERLIPEMIA REMEDY ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed