SCHEMBL8438128

SCHEMBL8438128

O=C(COc1ccccc1)OS(=O)CCNS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.54
TBXAS1 P24557 1/20 0.54
ALDH1A1 P00352 5/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SGMS1 Q86VZ5 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADAMTS4 O75173 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28173894 0.79 ALDH1A1 (0.60) TBXA2RTBXAS1ALDH1A1CYP2C9CYP2C19
SCHEMBL8438814 0.77 TBXA2R (0.56) TBXA2RTBXAS1ALDH1A1CYP2C9CYP2C19
SCHEMBL8438726 0.75 LMNA (0.43) TBXA2RTBXAS1ALDH1A1HTTKMT2A
SCHEMBL8442526 0.73 TBXA2R (0.57) TBXA2RTBXAS1ALDH1A1CYP2C9CYP2C19
SCHEMBL411104 0.72 ALDH1A1 (0.79) TBXA2RTBXAS1ALDH1A1HTTMEN1
SCHEMBL1880968 0.70 ALDH1A1 (0.72) TBXA2RTBXAS1ALDH1A1HTTMEN1
Sulotroban SCHEMBL34187 0.70 TBXA2R (1.00) TBXA2RTBXAS1ALDH1A1SGMS1POLB
SCHEMBL11379516 0.70 TBXA2R (0.74) TBXA2RTBXAS1ALDH1A1CYP2C9CYP2C19
SCHEMBL1876555 0.69 ALDH1A1 (0.71) TBXA2RTBXAS1ALDH1A1HTTMEN1
SCHEMBL7921055 0.69 TBXA2R (0.70) TBXA2RTBXAS1ALDH1A1CYP2C9CYP2C19

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-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed