SCHEMBL28035865

SCHEMBL28035865

CCCC1CO1.CCCCCOC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 5/20 0.55
TSHR P16473 5/20 0.52
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
CNR2 P34972 1/20 0.51
ESR1 P03372 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 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
SCHEMBL6662971 0.86 TDP1 (0.65) TDP1LMNA
SCHEMBL9844172 0.86 TDP1 (0.64) TDP1LMNAMAPK1ALDH1A1
SCHEMBL132946 0.84 TDP1 (0.81) TDP1LMNATSHRMAPK1CYP3A4
Benzene SCHEMBL28221398 0.84 TDP1 (0.81) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL28036335 0.83 TDP1 (0.56) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL246510 0.83 TDP1 (0.79) TDP1LMNATSHRMAPK1CYP3A4
Ammonia Solution, Strong SCHEMBL11710929 0.83 TDP1 (0.79) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL1037965 0.83 TDP1 (0.79) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL20822083 0.83 TDP1 (0.79) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL10532726 0.83 TDP1 (0.79) TDP1LMNATSHRMAPK1CYP3A4

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-104981452-A Skin whitening agent containing novel cyclic compound RNS CO LTD 2015-10-14 CN disclosed