SCHEMBL5689482

SCHEMBL5689482

COc1ccc(COC(=O)CCOc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.67
TP53 P04637 2/20 0.62
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 1/20 0.56
FFAR1 O14842 1/20 0.54
GAA P10253 1/20 0.53
POLB P06746 1/20 0.52
APP P05067 2/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL11401546 0.88 ALDH1A1 (0.58) ALDH1A1LMNATP53RAB9AMAPT
SCHEMBL3167627 0.84 LTA4H (0.50) ALDH1A1LMNATP53RAB9AMAPT
SCHEMBL3732372 0.83 ALDH1A1 (0.59) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL305162 0.82 MAPT (0.68) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL26023562 0.82 MAPT (0.68) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL20022995 0.82 TSHR (0.58) ALDH1A1LMNATP53NPC1RAB9A
SCHEMBL16320886 0.81 PLA2G4B (0.58) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3727515 0.80 FFAR1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16672454 0.80 TDP1 (0.56) ALDH1A1LMNANPC1SMN1; SMN2TSHR
SCHEMBL31329294 0.80 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AMAPTKMT2A

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-1654197-A1 CARRIER BASED ON GRANULES PRODUCED FROM PYROGENICALLY PREPARED SILICON DIOXIDES Degussa AG (DE) 2006-05-10 EP disclosed
WO-2005016823-A1 CARRIER BASED ON GRANULES PRODUCED FROM PYROGENICALLY PREPARED SILICON DIOXIDES DEGUSSA AG (DE) 2005-02-24 WO disclosed