SCHEMBL9871136

SCHEMBL9871136

COC(=O)CCCCCCCCCNS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 8/20 0.57
PKM P14618 2/20 0.56
TBXA2R P21731 1/20 0.54
FABP4 P15090 2/20 0.53
HTT P42858 2/20 0.53
TBXAS1 P24557 2/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL11626762 0.88 ALDH1A1 (0.56) MEN1KMT2AALDH1A1PKMTBXA2R
SCHEMBL19078974 0.87 ALDH1A1 (0.69) ALDH1A1PKMHTTLMNANPSR1
SCHEMBL13223680 0.87 ALDH1A1 (0.69) ALDH1A1PKMHTTLMNANPSR1
SCHEMBL15797966 0.86 ALDH1A1 (0.65) ALDH1A1PKMTBXA2RHTTLMNA
SCHEMBL2631178 0.86 ALDH1A1 (0.69) MEN1KMT2AALDH1A1PKMTBXA2R
SCHEMBL31522337 0.86 ALDH1A1 (0.57) MEN1KMT2AALDH1A1PKMTBXA2R
SCHEMBL31522332 0.86 ALDH1A1 (0.73) ALDH1A1PKMTBXA2RLMNATSHR
SCHEMBL1403259 0.86 ALDH1A1 (0.73) ALDH1A1PKMTBXA2RLMNATSHR
SCHEMBL31522327 0.86 ALDH1A1 (0.73) ALDH1A1PKMTBXA2RLMNATSHR
SCHEMBL9870095 0.84 TBXA2R (0.75) ALDH1A1PKMTBXA2RFABP4TBXAS1

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-4997847-A Thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (DE) 1991-03-05 US disclosed
EP-0304271-A2 Omega-arylsulphonamidoalkanoic acids for treatment of thromboxane medited diseases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-22 EP disclosed