SCHEMBL29010336

SCHEMBL29010336

NC(=O)OCC1(CO)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
DPP4 P27487 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.32
ALOX15 P16050 2/20 0.31
CTNNB1 P35222 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28625576 0.86 ALOX15 (0.37) TSHRALOX15CTNNB1LMNA
SCHEMBL29010357 0.84 TSHR (0.33) TSHRKDM4ERECQLALOX15CTNNB1
SCHEMBL29135764 0.82 ALOX15 (0.34) TSHRALOX15CTNNB1LMNASMN1; SMN2
SCHEMBL28647956 0.82 USP2 (0.35) TSHRALOX15CTNNB1LMNASMN1; SMN2
SCHEMBL28602137 0.73 ALOX15 (0.33) ALOX15CTNNB1
SCHEMBL24615879 0.72 EPHX1 (0.30)
SCHEMBL19608419 0.72 EPHX1 (0.34)
SCHEMBL3301796 0.72 EPHX1 (0.39)
Hydrochloric Acid SCHEMBL28602134 0.72 ALOX15 (0.32) ALOX15CTNNB1
SCHEMBL28415975 0.71 AOC2 (0.37) TSHRKDM4EDPP4L3MBTL1RECQL

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
CN-116234552-A Dual modulators of mGluR5 and 5-HT2A receptors and uses thereof (株)倍宝尊 2023-06-06 CN disclosed