SCHEMBL9738236

SCHEMBL9738236

CCc1cc(C(c2cc(CC)c(OCC3CO3)c(CC)c2)C(c2cc(CC)c(OCC3CO3)c(CC)c2)c2cc(CC)c(OCC3CO3)c(CC)c2)cc(CC)c1OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
GLA P06280 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
VDR P11473 1/20 0.33
MAPK1 P28482 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
SCHEMBL2831306 0.85 ALDH1A1 (0.44) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2831486 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2829952 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL19354024 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL9738048 0.81 ALDH1A1 (0.46) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2832966 0.79 ALDH1A1 (0.54) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL1627011 0.78 ALDH1A1 (0.39) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL28438889 0.77 ALDH1A1 (0.46) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL29327244 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL9738330 0.75 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ASMN1; SMN2

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-5098964-A Etherification of tetraphenolethane with epichlorohydrin SHELL OIL COMPANY (US) 1992-03-24 US disclosed