SCHEMBL9965882

SCHEMBL9965882

CCC1(COCCCCOc2ccc(C(=O)Oc3ccc(OCCO)cc3)cc2)COC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.40
NR1I2 O75469 1/20 0.39
TSHR P16473 1/20 0.39
RARB P10826 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10051163 0.96 LMNA (0.49) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9607798 0.93 LMNA (0.47) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL16575028 0.91 LMNA (0.46) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL762322 0.91 LMNA (0.56) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL12198492 0.91 LMNA (0.46) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL13232809 0.90 LMNA (0.45) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL13882229 0.90 NPC1 (0.46) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL12199819 0.90 LMNA (0.46) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL12655192 0.90 RARB (0.45) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9607797 0.89 LMNA (0.46) LMNANPC1CYP1A2CYP2C9CYP2C19

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
EP-2466348-A1 LIQUID-CRYSTAL FILM AND OPTICAL ELEMENT OBTAINED USING SAME JX Nippon Oil & Energy Corporation (JP) 2012-06-20 EP disclosed