SCHEMBL7974359

SCHEMBL7974359

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCOS(C)(=O)=O)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
GPR119 Q8TDV5 2/20 0.31
RECQL P46063 2/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
EPHX2 P34913 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL7961134 0.82 HCAR2 (0.31)
SCHEMBL7972951 0.77 LMNA (0.39) ALDH1A1LMNA
SCHEMBL7974750 0.74 SIGMAR1 (0.41)
SCHEMBL7972650 0.74
SCHEMBL7974425 0.74
SCHEMBL7220330 0.73 TSHR (0.62) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL7961373 0.73 CA2 (0.33)
SCHEMBL7971417 0.73 KDM4E (0.34) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL23292807 0.73 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL23292777 0.73 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed