SCHEMBL15526355

SCHEMBL15526355

C=CCOC(=O)C(C)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.49
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
ESR1 P03372 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7771217 0.86 TSHR (0.50) TSHRHPGDTDP1ATMALDH1A1
SCHEMBL27683156 0.82 TDP1 (0.42) TSHRHPGDTDP1ALDH1A1MAPT
SCHEMBL13715542 0.81 ALDH1A1 (0.52) TSHRHPGDTDP1ATMALDH1A1
SCHEMBL445760 0.81 ALDH1A1 (0.52) TSHRHPGDTDP1ATMALDH1A1
SCHEMBL446065 0.80 ALDH1A1 (0.45) TSHRHPGDTDP1ATMALDH1A1
SCHEMBL446645 0.80 ALDH1A1 (0.45) TSHRHPGDTDP1ATMALDH1A1
SCHEMBL14570068 0.80 ALDH1A1 (0.45) TSHRHPGDTDP1ATMALDH1A1
SCHEMBL996494 0.78 TSHR (0.51) TSHRHPGDTDP1ATMHCAR2
SCHEMBL3038430 0.76 ALDH1A1 (0.50) TSHRHPGDTDP1ATMALDH1A1
SCHEMBL9515904 0.76 CA1 (0.47) TSHRHPGDATMALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838495-A2 SELF-TANNING COSMETIC Kao Corporation (JP) 2015-02-25 EP disclosed
WO-2013156859-A2 SELF-TANNING COSMETIC KAO CORPORATION (JP) 2013-10-24 WO disclosed
CN-1160306-C Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters 2004-08-04 CN disclosed
CN-1302286-A Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters FIRMENICH & CIE (CH) 2001-07-04 CN disclosed