SCHEMBL15326653

SCHEMBL15326653

C=CCO[C@@H]1C(OCCCC)C(OCCCC)[C@H](OCCCC)C(OCCCC)[C@@H]1OCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.41
TSHR P16473 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ATM Q13315 1/20 0.30

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
SCHEMBL14000857 1.00 GBA1 (0.41) GBA1TSHRALDH1A1HPGDMEN1
SCHEMBL15326549 1.00 GBA1 (0.41) GBA1TSHRALDH1A1HPGDMEN1
SCHEMBL14000856 0.91 GBA1 (0.52) GBA1TSHRALDH1A1HPGD
SCHEMBL14027874 0.89 GBA1 (0.34) GBA1TSHRALDH1A1HPGD
SCHEMBL3269289 0.89 GBA1 (0.50) GBA1TSHRALDH1A1HPGD
SCHEMBL14028643 0.82 PPARG (0.33) GBA1TSHRHPGD
SCHEMBL8499786 0.82 L3MBTL1 (0.47) TSHRALDH1A1
SCHEMBL7749078 0.81 GBA1 (0.70) GBA1TSHR
SCHEMBL7749062 0.81 GBA1 (0.70) GBA1TSHR
SCHEMBL16351057 0.80 GBA1 (0.41) GBA1TSHRHPGD

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
WO-2013150117-A1 RADIOTRACER, IN PARTICULAR FOR ALZHEIMER'S DISEASE UNIVERSITE DE LORRAINE (FR) 2013-10-10 WO disclosed