SCHEMBL9357152

SCHEMBL9357152

CCCCCCCCOc1cnc(-c2ccc(-c3ccc(OC(=O)C[C@@H](F)CC)cc3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.48
NPC1 O15118 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 4/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 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
SCHEMBL10701846 1.00 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10336023 0.90 RARB (0.56) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9240678 0.87 RARB (0.47) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9236169 0.87 RARB (0.47) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9236456 0.87 RARB (0.47) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9240953 0.87 RARB (0.47) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9237795 0.87 RARB (0.47) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9235921 0.87 RARB (0.47) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9239935 0.87 RARB (0.47) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9240133 0.85 NPC1 (0.47) RARBNPC1SMN1; SMN2LMNANFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289270-B1 Optically active 2-biphenylpyrimidine derivatives and liquid crystal compositions containing them CHISSO CORP (JP) 1994-12-14 EP disclosed
US-5059340-A For display mode CHISSO CORPORATION (JP) 1991-10-22 US disclosed
EP-0289270-A1 Optically active 2-biphenylpyrimidine derivatives and liquid crystal compositions containing them Chisso Corporation (JP) 1988-11-02 EP disclosed