SCHEMBL8734682

SCHEMBL8734682

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TBXA2R P21731 5/20 0.50
GAA P10253 1/20 0.50
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
TSHR P16473 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL8733706 0.90 TBXA2R (0.50) ALDH1A1TBXA2RGAACNR1CNR2
SCHEMBL8734674 0.88 AKR1C3 (0.49) ALDH1A1TBXA2RGAACNR1CNR2
SCHEMBL8731635 0.87 TBXA2R (0.63) ALDH1A1TBXA2RLMNAMEN1KMT2A
SCHEMBL8730153 0.85 TBXA2R (0.46) ALDH1A1TBXA2RGAACNR1CNR2
SCHEMBL8733707 0.82 TBXA2R (0.53) ALDH1A1TBXA2RGAACNR1CNR2
SCHEMBL8730099 0.81 TBXA2R (0.66) TBXA2RTSHRMEN1KMT2A
SCHEMBL8757138 0.79 TBXA2R (0.62) ALDH1A1TBXA2RTSHRMEN1KMT2A
SCHEMBL8757815 0.78 TBXA2R (0.54) ALDH1A1TBXA2RGAACNR1CNR2
SCHEMBL8758402 0.78 TBXA2R (0.63) ALDH1A1TBXA2RLMNAPKMTSHR
SCHEMBL8730079 0.76 TBXA2R (0.61) ALDH1A1TBXA2RPKMPOLBMEN1

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