SCHEMBL7845911

SCHEMBL7845911

CCCCCCCCCCOc1ccc(C(=O)Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.72
LMNA P02545 3/20 0.72
NFKB1 P19838 3/20 0.72
NFKB2 Q00653 3/20 0.72
RELA Q04206 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
TP53 P04637 1/20 0.68
TSHR P16473 1/20 0.68
POLB P06746 1/20 0.66
MAPT P10636 1/20 0.66
PLA2G4B P0C869 1/20 0.66
FAAH O00519 6/20 0.65
KMT2A Q03164 1/20 0.65
RARB P10826 3/20 0.62
PRSS1 P07477 1/20 0.61

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
SCHEMBL27949668 1.00 NPC1 (0.72) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5705987 1.00 NPC1 (0.72) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10524079 1.00 NPC1 (0.72) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10608962 0.99 NPC1 (0.71) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9829760 0.98 NPC1 (0.72) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9057790 0.96 RARB (0.70) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9407176 0.95 LMNA (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL15255112 0.95 LMNA (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5706230 0.95 KMT2A (0.70) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8639907 0.94 LTA4H (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210816-B1 Translucent xerographic recording substrates XEROX CORPORATION 2001-04-03 US disclosed
US-5876492-A Ink compositions containing esters XEROX CORPORATION (US) 1999-03-02 US disclosed
EP-0219481-B1 Fast-switching low-temperature ferroelectric liquid crystal mixtures FLC INNOVATION AB (SE) 1994-08-03 EP disclosed
US-5247379-A Chiral nematic liquid crystal device with linear electroclinic effect S. T. LAGERWALL S.A.R.L. (FR) 1993-09-21 US disclosed
EP-0219481-A2 Fast-switching low-temperature ferroelectric liquid crystal mixtures FLC Innovation AB (SE) 1987-04-22 EP disclosed