SCHEMBL8990105

SCHEMBL8990105

CCCCCCOc1ccc(C(=O)Oc2ccc(OCCC[C@@H](C)CC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
NPC1 O15118 3/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
PRSS1 P07477 1/20 0.55
ACR P10323 1/20 0.55
PLA2G4B P0C869 4/20 0.55
KMT2A Q03164 2/20 0.54
RARB P10826 3/20 0.52

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
SCHEMBL8018837 1.00 LMNA (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9711357 1.00 LMNA (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL8990116 1.00 LMNA (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL8018492 1.00 LMNA (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9766506 1.00 LMNA (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL7778269 1.00 LMNA (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9796851 0.97 LMNA (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9200762 0.97 LMNA (0.64) LMNANPC1NFKB1NFKB2RELA
SCHEMBL10358904 0.94 NPC1 (0.58) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9812246 0.93 NPC1 (0.57) LMNANPC1NFKB1NFKB2RELA

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-0425304-B1 Liquid crystal device with grey scale MINNESOTA MINING & MFG (US) 1996-07-17 EP disclosed
US-5062691-A Liquid crystal device with grey scale MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-11-05 US disclosed
EP-0425304-A2 Liquid crystal device with grey scale MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-05-02 EP disclosed