SCHEMBL8440583

SCHEMBL8440583

O=C(O)C(Oc1ccccc1)SCCNS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
GAA P10253 1/20 0.56
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
SGMS1 Q86VZ5 2/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
TBXA2R P21731 1/20 0.45
MMP2 P08253 3/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 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
SCHEMBL8442525 0.91 TBXA2R (0.52) ALDH1A1LMNAPKMSMN1; SMN2TSHR
SCHEMBL8441478 0.88 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2ASGMS1
SCHEMBL8437957 0.88 MEN1 (0.54) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL8442976 0.88 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2APKM
SCHEMBL8440900 0.87 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL8438766 0.85 LMNA (0.53) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL8437796 0.85 ALDH1A1 (0.56) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL8441001 0.84 TBXA2R (0.38) ALDH1A1GAATSHRTBXA2RMMP2
SCHEMBL8440909 0.81 TBXAS1 (0.48) TBXA2R
SCHEMBL8438050 0.81 ALDH1A1 (0.59) ALDH1A1GAATAAR1LMNAMEN1

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