SCHEMBL16551069

SCHEMBL16551069

CCC(O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2D O15399 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN2B Q13224 2/20 0.40
MAPK1 P28482 1/20 0.40
KIF11 P52732 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
KCNN4 O15554 2/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27997024 0.78 DUT (0.41) LMNAMAPK1KIF11ALDH1A1ALOX15
SCHEMBL28227393 0.78 TRPA1 (0.40) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL16062155 0.77 ALDH1A1 (0.41) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL6279066 0.77 TSHR (0.35) LMNAKIF11ALDH1A1ALOX15TSHR
SCHEMBL8077580 0.76 KIF11 (0.38) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL9752682 0.76 KIF11 (0.42) LMNAGRIN1GRIN2AMAPK1KIF11
SCHEMBL10776485 0.74 CPA3 (0.45) MAPK1KIF11ALDH1A1TSHRCYP2C19
SCHEMBL5899999 0.73 ALDH1A1 (0.39) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL21087595 0.73 TK1 (0.48) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL4771137 0.73 TK1 (0.48) LMNAGRIN1GRIN2AGRIN2DGRIN2C

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
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed