SCHEMBL11763538

SCHEMBL11763538

CCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
NPC1 O15118 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
NFKB1 P19838 3/20 0.65
NFKB2 Q00653 3/20 0.65
RELA Q04206 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PRSS1 P07477 1/20 0.59
ACR P10323 1/20 0.59
MAPT P10636 3/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 2/20 0.58
MGLL Q99685 2/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL8023132 1.00 LMNA (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11467054 1.00 LMNA (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11459004 0.99 NPC1 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL8535590 0.99 NPC1 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9853915 0.99 NPC1 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11771472 0.99 NPC1 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL14132233 0.99 NPC1 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5348247 0.99 NPC1 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL14131957 0.99 NPC1 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11769419 0.97 LMNA (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52005731-A None JP disclosed
JP-S525731-A LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE SEIKO EPSON CORP 1977-01-17 JP disclosed