SCHEMBL5348247

SCHEMBL5348247

CCCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
LMNA P02545 3/20 0.67
NFKB1 P19838 3/20 0.67
NFKB2 Q00653 3/20 0.67
RELA Q04206 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
MGLL Q99685 2/20 0.59
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 3/20 0.58
POLB P06746 1/20 0.58
PRSS1 P07477 1/20 0.57
ACR P10323 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PLA2G4B P0C869 1/20 0.57

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
SCHEMBL11459004 1.00 NPC1 (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14131957 1.00 NPC1 (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14132233 1.00 NPC1 (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9853915 1.00 NPC1 (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8535590 1.00 NPC1 (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL11771472 1.00 NPC1 (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL11467054 0.99 LMNA (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8023132 0.99 LMNA (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL11763538 0.99 LMNA (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10794274 0.97 NPC1 (0.64) NPC1LMNANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3977768-A Nematic liquid crystal compositions DAI NIPPON TORYO KAUBSHIKI KAISHA (JA) 1976-08-31 US claimed
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed
US-4198130-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1980-04-15 US disclosed
US-4086002-A Field effect light shutter employing low temperature nematic liquid crystals HAFFMANN-LA ROCHE INC. (US) 1978-04-25 US disclosed
US-4037062-A Liquid crystal electromechanical transducer FERGASON, JAMES L. 1977-07-19 US disclosed
US-3977768-A Nematic liquid crystal compositions DAI NIPPON TORYO KAUBSHIKI KAISHA (JA) 1976-08-31 US disclosed
US-3977768-A Nematic liquid crystal compositions DAI NIPPON TORYO KAUBSHIKI KAISHA (JA) 1976-08-31 US disclosed
US-3961843-A POLY-P-XYLYLENE DAI NIPPON TORYO KABUSHIKI KAISHA (JA) 1976-06-08 US disclosed
US-3955881-A Electro-optical device employing nematic liquid crystal DAI NIPPON TORYO KABUSHIKI KAISHA (JA) 1976-05-11 US disclosed