SCHEMBL8440900

SCHEMBL8440900

COc1ccc(S(=O)(=O)NCCSC(Oc2ccccc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
PKM P14618 1/20 0.56
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
SGMS1 Q86VZ5 1/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46

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 0.90 TBXA2R (0.52) ALDH1A1PKMSMN1; SMN2KDM4ECYP3A4
SCHEMBL8437957 0.89 MEN1 (0.54) ALDH1A1CYP3A4HTTTSHRMAPT
SCHEMBL8440583 0.87 ALDH1A1 (0.56) ALDH1A1PKMSMN1; SMN2HTTTSHR
SCHEMBL8442976 0.87 ALDH1A1 (0.48) ALDH1A1PKMTSHRSGMS1ADAMTS4
SCHEMBL8441478 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTSGMS1ADAMTS4
SCHEMBL8438766 0.84 LMNA (0.53) ALDH1A1PKMSMN1; SMN2MAPTMAPK1
SCHEMBL8437796 0.84 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2TBXA2RMEN1
SCHEMBL8441165 0.84 KDM4E (0.59) ALDH1A1PKMPOLBSMN1; SMN2KDM4E
SCHEMBL8440909 0.81 TBXAS1 (0.48) TBXA2R
SCHEMBL8443153 0.80 MEP1B (0.47) ALDH1A1PKMSMN1; SMN2KDM4ETSHR

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