SCHEMBL28296876

SCHEMBL28296876

C(OCC1CO1)C1CO1.CC(CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 5/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
GLA P06280 1/20 0.42
MGLL Q99685 3/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15667508 0.89 MEN1 (0.52) MEN1KMT2ATDP1TSHRMAPK1
SCHEMBL730708 0.88 MEN1 (0.51) MEN1KMT2ATDP1TSHRMAPK1
SCHEMBL11663394 0.85 MEN1 (0.55) MEN1KMT2ATDP1TSHRMAPK1
SCHEMBL8847340 0.85 MEN1 (0.71) MEN1KMT2ATDP1TSHRMAPK1
Tert-Butylbenzene SCHEMBL266495 0.85 MEN1 (0.58) MEN1KMT2ATDP1TSHRMAPK1
SCHEMBL29227871 0.85 MEN1 (0.58) MEN1KMT2ATDP1TSHRMAPK1
SCHEMBL28738187 0.81 MEN1 (0.50) MEN1KMT2ATDP1TSHRMAPK1
SCHEMBL14670294 0.81 MEN1 (0.50) MEN1KMT2ATDP1TSHRMAPK1
Phenol SCHEMBL10941463 0.81 TSHR (0.46) MEN1KMT2ATDP1TSHRMAPK1
SCHEMBL28067396 0.80 MEN1 (0.56) MEN1KMT2ATDP1TSHRMAPK1

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
CN-109843936-A Polymeric compositions prepare its method and the product comprising it 马萨诸塞大学 2019-06-04 CN disclosed