SCHEMBL8437796

SCHEMBL8437796

O=C(O)C(Oc1ccccc1)SCCNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KAT6A Q92794 2/20 0.47
NPY1R P25929 1/20 0.47
NPY5R Q15761 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
POLB P06746 1/20 0.46
CYP19A1 P11511 1/20 0.45
TBXA2R P21731 2/20 0.45
F2 P00734 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 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
SCHEMBL8442525 0.88 TBXA2R (0.52) ALDH1A1LMNASMN1; SMN2TBXA2R
SCHEMBL8442976 0.85 ALDH1A1 (0.48) ALDH1A1GAATBXA2RMEN1KMT2A
SCHEMBL8441478 0.85 ALDH1A1 (0.48) ALDH1A1GAATBXA2RMEN1KMT2A
SCHEMBL8440583 0.85 ALDH1A1 (0.56) ALDH1A1LMNAGAASMN1; SMN2TBXA2R
SCHEMBL8437957 0.85 MEN1 (0.54) ALDH1A1LMNAGAATBXA2RMEN1
SCHEMBL8440900 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBTBXA2RMEN1
SCHEMBL8443153 0.82 MEP1B (0.47) ALDH1A1LMNASMN1; SMN2TBXA2R
SCHEMBL8438766 0.82 LMNA (0.53) ALDH1A1LMNASMN1; SMN2SLC1A3SLC1A2
SCHEMBL8439050 0.81 VCAM1 (0.54) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8521716 0.81 ALDH1A1 (0.55) ALDH1A1LMNAGAASMN1; SMN2KAT6A

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