SCHEMBL3841409

SCHEMBL3841409

Oc1c(-c2ccc(OCc3ccccc3)c3c2CCCC3)c[c]c2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRB P28702 11/20 0.41
RXRA P19793 10/20 0.41
RXRG P48443 9/20 0.41
PPARD Q03181 2/20 0.39
PPARG P37231 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
BRD4 O60885 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 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
SCHEMBL3839624 0.80 LMNA (0.34) RXRBRXRARXRGBRD4MAPT
SCHEMBL3592575 0.74 RXRB (0.43) RXRBRXRARXRGPPARDPPARG
SCHEMBL3841406 0.73 RXRB (0.41) RXRBRXRARXRGPPARDPPARG
SCHEMBL5833502 0.71 RXRA (0.49) RXRBRXRARXRGPPARDPPARG
SCHEMBL25732360 0.69 RXRB (0.49) RXRBRXRARXRGPPARDPPARG
SCHEMBL1356087 0.68 LIPE (0.58) RXRBRXRARXRGPPARDPPARG
SCHEMBL10853603 0.66 MAOB (0.55) RXRBRXRARXRG
SCHEMBL3371584 0.65 RXRB (0.49) RXRBRXRARXRGPPARDPPARG
SCHEMBL16347731 0.65 RAB9A (0.46) RXRBRXRARXRGMAPTSMN1; SMN2
SCHEMBL22163922 0.64 MRGPRX4 (0.46) BRD4MRGPRX4MAPTCYP2C9CYP2C19

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