SCHEMBL5725152

SCHEMBL5725152

O=C1OCC1COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 2/20 0.45
CYP3A4 P08684 4/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP19A1 P11511 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL30226689 0.84 LMNA (0.48) TAAR1LMNATSHR
SCHEMBL17610572 0.81 LMNA (0.46) TAAR1LMNATSHR
SCHEMBL5724643 0.80 TAAR1 (0.50) TAAR1LMNATSHR
SCHEMBL790546 0.78 CYP19A1 (0.46) TAAR1LMNATSHRCYP3A4MAPT
SCHEMBL30959376 0.78 CYP19A1 (0.52) TAAR1LMNATSHRCYP3A4MAPT
SCHEMBL24286799 0.78 CYP19A1 (0.49) TAAR1LMNATSHRCYP3A4MAPT
SCHEMBL20993237 0.78 CYP19A1 (0.49) TAAR1LMNATSHRCYP3A4MAPT
SCHEMBL18302831 0.78 CYP19A1 (0.49) TAAR1LMNATSHRCYP3A4MAPT
SCHEMBL15095406 0.78 LMNA (0.48) TAAR1LMNATSHRCYP3A4MAPT
SCHEMBL15095433 0.78 LMNA (0.48) TAAR1LMNATSHRCYP3A4MAPT

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-1685127-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES The University of Connecticut (US) 2006-08-02 EP disclosed
WO-2005051944-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES UNIVERSITY OF CONNECTICUT (US) 2005-06-09 WO disclosed