SCHEMBL8440203

SCHEMBL8440203

CCOC(=O)COc1ccc(CCSC(C)CNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
TBXA2R P21731 1/20 0.51
TBXAS1 P24557 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
POLB P06746 2/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
SGMS1 Q86VZ5 3/20 0.45
PKM P14618 2/20 0.45
KMT2A Q03164 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
SCHEMBL8441528 0.86 TSHR (0.49) TSHRHSP90AA1HSP90AB1PDK1PDK2
SCHEMBL7918882 0.83 TBXA2R (0.59) TSHRTBXA2RTBXAS1SMN1; SMN2ALDH1A1
SCHEMBL11379516 0.82 TBXA2R (0.74) TSHRTBXA2RTBXAS1SMN1; SMN2ALDH1A1
SCHEMBL7918951 0.82 TBXA2R (0.57) TSHRTBXA2RTBXAS1SMN1; SMN2ALDH1A1
SCHEMBL9765332 0.81 SMN1; SMN2 (0.58) TSHRHSP90AA1HSP90AB1PDK1PDK2
SCHEMBL11363199 0.80 TSHR (0.75) TSHRTBXA2RTBXAS1SMN1; SMN2ALDH1A1
SCHEMBL9510518 0.79 SMN1; SMN2 (0.58) TSHRHSP90AA1HSP90AB1PDK1PDK2
SCHEMBL9777951 0.79 SMN1; SMN2 (0.57) TSHRHSP90AA1HSP90AB1PDK1PDK2
SCHEMBL7921088 0.78 ALDH1A1 (0.63) TSHRTBXA2RTBXAS1SMN1; SMN2ALDH1A1
SCHEMBL9765259 0.77 GAA (0.53) TSHRSMN1; SMN2ALDH1A1TP53ALOX15

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