SCHEMBL8440773

SCHEMBL8440773

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.46
ACAT1 P24752 1/20 0.46
SOAT1 P35610 1/20 0.46
LMNA P02545 2/20 0.43
PAX8 Q06710 1/20 0.43
NAAA Q02083 2/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PTPN1 P18031 1/20 0.41
ASAH1 Q13510 1/20 0.41

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
SCHEMBL8441450 1.00 SOAT2 (0.46) SOAT2ACAT1SOAT1LMNAPAX8
SCHEMBL9000782 0.80 SOAT2 (0.59) SOAT2ACAT1SOAT1LMNAPAX8
SCHEMBL8419057 0.80 SOAT2 (0.59) SOAT2ACAT1SOAT1LMNAPAX8
SCHEMBL8439085 0.79 TBXA2R (0.43) LMNAPAX8ALDH1A1POLBMAPT
SCHEMBL8441453 0.76 MEN1 (0.48) ALDH1A1KMT2APTPN1
SCHEMBL8440775 0.76 MEN1 (0.48) ALDH1A1KMT2APTPN1
SCHEMBL14602835 0.75 ALDH1A1 (0.63) SOAT2SOAT1ALDH1A1HTTPTPN1
SCHEMBL8441161 0.71 TBXA2R (0.52) LMNAALDH1A1POLBMAPTHTT
SCHEMBL8438050 0.71 ALDH1A1 (0.59) LMNAALDH1A1POLBMAPTHTT
SCHEMBL8441437 0.71 TBXA2R (0.52) LMNAALDH1A1POLBMAPTHTT

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