SCHEMBL8440775

SCHEMBL8440775

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PTPN1 P18031 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
PAM P19021 1/20 0.42
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL8441453 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDPTPN1
SCHEMBL14602835 0.81 ALDH1A1 (0.63) ALDH1A1PTPN1
SCHEMBL7918974 0.81 ALDH1A1 (0.46) ALDH1A1HPGDPTPN1CNR2
SCHEMBL7924081 0.81 ALDH1A1 (0.46) ALDH1A1HPGDPTPN1CNR2
SCHEMBL8442905 0.80 POLB (0.55) MEN1KMT2AALDH1A1HPGDPAM
SCHEMBL7918931 0.76 MAPT (0.47) ALDH1A1HPGDPTPN1CNR2
SCHEMBL7911884 0.76 MAPT (0.47) ALDH1A1HPGDPTPN1CNR2
SCHEMBL8441450 0.76 SOAT2 (0.46) KMT2AALDH1A1PTPN1
SCHEMBL8440773 0.76 SOAT2 (0.46) KMT2AALDH1A1PTPN1
SCHEMBL11107638 0.75 ALDH1A1 (0.59) ALDH1A1HPGD

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