SCHEMBL8439894

SCHEMBL8439894

CCC(Oc1ccccc1)C(=O)OS(=O)(=O)CCNS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 7/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
TBXA2R P21731 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TBXAS1 P24557 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
SCHEMBL8438726 0.80 LMNA (0.43) LMNAHTTMAPTTHRBKMT2A
SCHEMBL8559241 0.75 ALDH1A1 (0.50) LMNAALDH1A1KDM4EMAPK1ADAMTS4
SCHEMBL8438814 0.74 TBXA2R (0.56) LMNAHTTKMT2AALDH1A1KDM4E
SCHEMBL8438812 0.73 ALDH1A1 (0.48) LMNAHTTKMT2AALDH1A1KDM4E
SCHEMBL10938219 0.72 TSHR (0.58) LMNAHTTKMT2AALDH1A1TSHR
SCHEMBL10552330 0.70 ALDH1A1 (0.52) LMNAKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL12953485 0.70 ALDH1A1 (0.45) LMNAKMT2AALDH1A1TSHRKDM4E
SCHEMBL767041 0.69 TDP1 (0.55) LMNAKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL16672960 0.69 TSHR (0.55) LMNAKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL16673023 0.69 MAPT (0.62) LMNAHTTMAPTKMT2AALDH1A1

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