SCHEMBL8734679

SCHEMBL8734679

CC(=O)Oc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.67
NPY5R Q15761 5/20 0.60
NPY1R P25929 1/20 0.60
ACACB O00763 1/20 0.58
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
POLB P06746 2/20 0.48
BCHE P06276 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 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
SCHEMBL8731672 0.89 TBXA2R (0.61) TBXA2RNPY5RNPY1RPOLBALDH1A1
SCHEMBL8734692 0.85 KMT2A (0.52) TBXA2RALDH1A1LMNAMEN1KMT2A
SCHEMBL8734665 0.84 TBXA2R (0.66) TBXA2RNPY5RNPY1RALDH1A1
Water SCHEMBL2762310 0.83 TBXA2R (0.63) TBXA2RALDH1A1MEN1KMT2A
SCHEMBL8734707 0.80 TBXA2R (0.64) TBXA2RNPY5RPOLBALDH1A1LMNA
SCHEMBL8734677 0.80 TBXA2R (0.84) TBXA2RNPY5RNPY1RACACBHDAC3
SCHEMBL8728399 0.80 TBXA2R (0.48) TBXA2RALDH1A1
SCHEMBL8734192 0.80 TBXA2R (0.49) TBXA2RNPY5RNPY1RACACBPOLB
SCHEMBL8733559 0.79 TBXA2R (0.54) TBXA2RLMNA
SCHEMBL8733718 0.77 TBXA2R (0.71) TBXA2RNPY5RNPY1RACACBHDAC3

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