SCHEMBL6719657

SCHEMBL6719657

O=C1C=C[C@H](CCOCc2ccccc2)O1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
NAAA Q02083 2/20 0.38
DAO P14920 1/20 0.38
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.36
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
FASN P49327 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR2B P41595 1/20 0.35
AGTR2 P50052 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL6336780 0.84 LMNA (0.49) TSHRLMNADAOHTTPOLB
SCHEMBL8985179 0.79 FASN (0.46) DAOCYP3A4FASN
SCHEMBL1459291 0.75 LMNA (0.49) TSHRLMNANAAADAOPDE4D
SCHEMBL1459289 0.75 LMNA (0.49) TSHRLMNANAAADAOPDE4D
SCHEMBL14428814 0.71 LMNA (0.43) TSHRLMNANAAAPDE4DTAAR1
SCHEMBL18850790 0.71 LMNA (0.45) TSHRLMNANAAADAOHTT
SCHEMBL8181781 0.69 LMNA (0.46) TSHRLMNANAAAPDE4DALDH1A1
SCHEMBL16464737 0.69 LMNA (0.46) TSHRLMNANAAAPDE4DALDH1A1
SCHEMBL12903277 0.69 LMNA (0.49) TSHRLMNANAAACYP3A4PTPN1
SCHEMBL18227495 0.69 LMNA (0.46) TSHRLMNANAAAPDE4DALDH1A1

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-2004033462-A2 METHOD OF PREPARING (3R, 3aS, 6aR) -3- HYDROXYHEXAHYDROFURO [2, 3-b] FURAN AND RELATED COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-04-22 WO disclosed