SCHEMBL3841406

SCHEMBL3841406

Oc1cc[c]c2c1CCCC2.[c]1ccc(OCc2ccccc2)c2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 9/20 0.41
RXRA P19793 9/20 0.41
RXRG P48443 7/20 0.41
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
APP P05067 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LIPE Q05469 1/20 0.35

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
SCHEMBL3592575 0.92 RXRB (0.43) RXRBRXRARXRGPPARGPPARD
SCHEMBL3589514 0.77 BCL2L1 (0.42)
SCHEMBL3841409 0.73 RXRB (0.41) RXRBRXRARXRGPPARGPPARD
SCHEMBL3839624 0.72 LMNA (0.34) RXRBRXRARXRGBRD4LMNA
SCHEMBL5833502 0.69 RXRA (0.49) RXRBRXRARXRGPPARGPPARD
SCHEMBL21647153 0.67 LMNA (0.44) APPALPGPTK2BBRD4LMNA
SCHEMBL3372724 0.67 RXRB (0.72) RXRBRXRARXRGMRGPRX4LMNA
SCHEMBL25732360 0.66 RXRB (0.49) RXRBRXRARXRGPPARGPPARD
SCHEMBL4130095 0.66 MAPT (0.59) RXRBRXRARXRGALPGPTK2B
SCHEMBL7911621 0.66 LMNA (0.43) ALPGPTK2BLMNACYP1A2PTGS1

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-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO disclosed