SCHEMBL9744990

SCHEMBL9744990

Cc1cc(Sc2cc(C)c(O)c(C3(C)CCCCC3)c2)cc(C2(C)CCCCC2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
RARA P10276 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
PTGDR Q13258 1/20 0.31

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
SCHEMBL39469 0.81 GLA (0.60) GLATSHRALOX12ACHENPSR1
SCHEMBL29373474 0.81 GLA (0.60) GLATSHRALOX12ACHENPSR1
SCHEMBL8747620 0.78 GLA (0.47) GLATSHRALOX12ACHENPSR1
SCHEMBL13899790 0.77 GLA (0.49) GLATSHRALOX12ACHENPSR1
SCHEMBL11805442 0.75 GLA (0.45) GLATSHRALOX12ACHENPSR1
SCHEMBL11805437 0.75 GLA (0.45) GLATSHRALOX12ACHENPSR1
SCHEMBL224293 0.74 GLA (0.66) GLATSHRALOX12ACHENPSR1
SCHEMBL3810035 0.74 RARB (0.50) GLATSHRALOX12ACHENPSR1
SCHEMBL8399159 0.74 GLA (0.43) GLATSHRALOX12ACHENPSR1
SCHEMBL9744265 0.73 ALOX12 (0.56) GLATSHRALOX12ACHENPSR1

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-0270711-B1 IMPROVED METHOD FOR ROSIN ESTERIFICATION WESTVACO CORPORATION (US) 1992-04-22 EP disclosed