SCHEMBL9869808

SCHEMBL9869808

O=C(O)CCCCCCCCNS(=O)(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
TBXA2R P21731 2/20 1.00
LMNA P02545 4/20 0.77
PKM P14618 2/20 0.77
KDM4E B2RXH2 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
FABP4 P15090 3/20 0.66
HDAC1 Q13547 2/20 0.63
HDAC3 O15379 1/20 0.63
HDAC2 Q92769 1/20 0.60
THRB P10828 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL9567621 1.00 ALDH1A1 (1.00) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL599970 1.00 ALDH1A1 (1.00) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL4595308 1.00 ALDH1A1 (1.00) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL31522350 1.00 ALDH1A1 (1.00) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL9869749 1.00 ALDH1A1 (1.00) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL9567728 1.00 ALDH1A1 (1.00) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL3383427 0.98 ALDH1A1 (0.97) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL911198 0.93 ALDH1A1 (0.87) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL2008191 0.89 ALDH1A1 (0.80) ALDH1A1TBXA2RLMNAPKMKDM4E
SCHEMBL3171207 0.89 ALDH1A1 (0.79) ALDH1A1TBXA2RLMNAPKMKDM4E

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