SCHEMBL9869950

SCHEMBL9869950

COc1ccc(S(=O)(=O)NCCCCCCCC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.75
PKM P14618 2/20 0.75
TBXA2R P21731 1/20 0.69
MAPK1 P28482 1/20 0.64
LMNA P02545 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
USP2 O75604 1/20 0.58
TBXAS1 P24557 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.57
FABP4 P15090 1/20 0.57

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
SCHEMBL3075637 1.00 ALDH1A1 (0.75) ALDH1A1PKMTBXA2RMAPK1LMNA
SCHEMBL2677725 0.94 ALDH1A1 (0.74) ALDH1A1PKMTBXA2RMAPK1LMNA
SCHEMBL2945763 0.88 ALDH1A1 (0.69) ALDH1A1PKMKMT2AUSP2SMN1; SMN2
SCHEMBL29163141 0.86 ALDH1A1 (0.71) ALDH1A1PKMTBXA2RLMNAMEN1
SCHEMBL29163131 0.84 ALDH1A1 (0.68) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL3074642 0.84 ALDH1A1 (0.67) ALDH1A1PKMTBXA2RMAPK1FABP4
SCHEMBL9871290 0.84 ALDH1A1 (0.75) ALDH1A1PKMTBXA2RMAPK1LMNA
SCHEMBL600045 0.84 ALDH1A1 (0.75) ALDH1A1PKMTBXA2RMAPK1LMNA
SCHEMBL7392549 0.82 ALDH1A1 (0.84) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL9149721 0.82 ALDH1A1 (0.84) ALDH1A1PKMMAPK1LMNAMEN1

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