SCHEMBL9701370

SCHEMBL9701370

CCCOc1cc(OC)c(C(=O)O)cc1OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP3A4 P08684 1/20 0.51
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
TNFRSF1A P19438 1/20 0.44
KMT2A Q03164 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 1/20 0.43
DPP4 P27487 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL18309198 0.87 TSHR (0.66) TSHRHSD17B10CYP3A4LCKFYN
SCHEMBL13579888 0.83 TSHR (0.55) TSHRHSD17B10CYP3A4LCKFYN
SCHEMBL18309189 0.82 TSHR (0.56) TSHRHSD17B10CYP3A4LCKFYN
SCHEMBL2833340 0.81 TSHR (0.55) TSHRHSD17B10CYP3A4TP53KMT2A
SCHEMBL23489015 0.80 KDM4E (0.53) TSHRHSD17B10LCKFYNTP53
SCHEMBL18309191 0.80 ALDH1A1 (0.47) TSHRHSD17B10LCKFYNKDM4E
SCHEMBL70539 0.80 PDE4D (0.47) TSHRHSD17B10LCKFYNTP53
SCHEMBL8902058 0.80 HPGD (0.53) KDM4EALDH1A1HPGDPPARGPPARA
SCHEMBL7797972 0.79 TSHR (0.53) TSHRHSD17B10CYP3A4LCKFYN
SCHEMBL2828736 0.79 TSHR (0.75) TSHRHSD17B10CYP3A4LCKFYN

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
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed