SCHEMBL9744265

SCHEMBL9744265

Cc1cc(Sc2cc(C)cc(C3(C)CCCCC3)c2O)c(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.56
GLA P06280 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ATM Q13315 1/20 0.49
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PDE7A Q13946 1/20 0.33
RARA P10276 1/20 0.32
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
SCHEMBL224293 0.86 GLA (0.66) ALOX12GLATSHRNPSR1MEN1
SCHEMBL39469 0.81 GLA (0.60) ALOX12GLATSHRNPSR1MEN1
SCHEMBL29373474 0.81 GLA (0.60) ALOX12GLATSHRNPSR1MEN1
SCHEMBL14571979 0.78 TSHR (0.57) ALOX12GLATSHRNPSR1MEN1
SCHEMBL39101 0.77 GLA (0.73) ALOX12GLATSHRNPSR1MEN1
SCHEMBL31176239 0.77 GLA (0.73) ALOX12GLATSHRNPSR1MEN1
SCHEMBL29464977 0.77 GLA (0.73) ALOX12GLATSHRNPSR1MEN1
SCHEMBL6400015 0.75 GLA (0.55) ALOX12GLATSHRNPSR1MEN1
SCHEMBL11813522 0.75 GLA (0.55) ALOX12GLATSHRNPSR1MEN1
SCHEMBL14571978 0.75 GLA (0.55) ALOX12GLATSHRNPSR1MEN1

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 2 patents. 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
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed