SCHEMBL9870700

SCHEMBL9870700

O=C(O)CCCCCCCCNS(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.77
ALDH1A1 P00352 4/20 0.74
TBXA2R P21731 2/20 0.74
FBP1 P09467 5/20 0.59
ATM Q13315 1/20 0.57
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL9872117 1.00 FABP4 (0.77) FABP4ALDH1A1TBXA2RFBP1ATM
SCHEMBL9871347 1.00 FABP4 (0.77) FABP4ALDH1A1TBXA2RFBP1ATM
SCHEMBL10334427 0.85 ALDH1A1 (0.61) FABP4ALDH1A1TBXA2R
SCHEMBL10334227 0.85 ALDH1A1 (0.61) FABP4ALDH1A1TBXA2R
SCHEMBL10333940 0.85 ALDH1A1 (0.61) FABP4ALDH1A1TBXA2R
SCHEMBL10334172 0.85 ALDH1A1 (0.61) FABP4ALDH1A1TBXA2R
SCHEMBL9869808 0.85 ALDH1A1 (1.00) FABP4ALDH1A1TBXA2RKDM4ELMNA
SCHEMBL9567621 0.85 ALDH1A1 (1.00) FABP4ALDH1A1TBXA2RKDM4ELMNA
SCHEMBL599970 0.85 ALDH1A1 (1.00) FABP4ALDH1A1TBXA2RKDM4ELMNA
SCHEMBL9567728 0.85 ALDH1A1 (1.00) FABP4ALDH1A1TBXA2RKDM4ELMNA

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