SCHEMBL28067101

SCHEMBL28067101

O=C(OCCCCO)c1ccccc1.[NaH]

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.81
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 2/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
F2 P00734 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL49966 0.98 TDP1 (0.85) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11896258 0.96 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11896278 0.96 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL913237 0.96 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL7295237 0.96 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL9712789 0.96 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL10790013 0.96 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL6821603 0.96 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL14723101 0.96 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
Potassium SCHEMBL29767441 0.95 TDP1 (0.79) TDP1LMNAALDH1A1MAPK1HIF1A

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-105596322-A Tyrosinase inhibitor and applications thereof LANHE (SHANGHAI) BIOTECHNOLOGY CO LTD 2016-05-25 CN disclosed