SCHEMBL8442525

SCHEMBL8442525

O=C(O)C(Oc1ccccc1)SCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.52
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MMP2 P08253 5/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
TBXAS1 P24557 1/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8440583 0.91 ALDH1A1 (0.56) TBXA2RALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL8437957 0.91 MEN1 (0.54) TBXA2RALDH1A1LMNATSHRNPSR1
SCHEMBL8441478 0.91 ALDH1A1 (0.48) TBXA2RALDH1A1KDM4EMMP2ADAMTS4
SCHEMBL8442976 0.91 ALDH1A1 (0.48) TBXA2RALDH1A1PKMTSHRTDP1
SCHEMBL8440900 0.90 ALDH1A1 (0.56) TBXA2RALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL8440909 0.89 TBXAS1 (0.48) TBXA2RTBXAS1
SCHEMBL8438766 0.88 LMNA (0.53) TBXA2RALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL8437796 0.88 ALDH1A1 (0.56) TBXA2RALDH1A1LMNASMN1; SMN2
SCHEMBL8443153 0.86 MEP1B (0.47) TBXA2RALDH1A1KDM4ELMNAPKM
SCHEMBL8441001 0.85 TBXA2R (0.38) TBXA2RALDH1A1TSHRTDP1NPSR1

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