SCHEMBL9650867

SCHEMBL9650867

CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
LMNA P02545 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 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
PLA2G4B P0C869 1/20 0.58
MAOB P27338 1/20 0.56
RARB P10826 3/20 0.56
FAAH O00519 3/20 0.55
PRSS1 P07477 1/20 0.55

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
SCHEMBL9578511 1.00 NPC1 (0.64) NPC1LMNANFKB1NFKB2RELA
SCHEMBL27973867 1.00 NPC1 (0.64) NPC1LMNANFKB1NFKB2RELA
SCHEMBL27973868 1.00 NPC1 (0.64) NPC1LMNANFKB1NFKB2RELA
SCHEMBL1934051 1.00 NPC1 (0.64) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8639906 0.99 LMNA (0.64) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9663346 0.93 NPC1 (0.62) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14262243 0.93 NPC1 (0.62) NPC1LMNANFKB1NFKB2RELA
SCHEMBL4057883 0.91 MAOB (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL4057112 0.91 MAOB (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7845911 0.91 NPC1 (0.72) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321984-B1 MESOMORPHIC COMPOUND HAVING BETA-HYDROXYCARBOXYL GROUP AS CHIRAL SOURCE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1992-10-21 EP disclosed
EP-0313379-B1 OPTICALLY ACTIVE COMPOUND HAVING DELTA-VALEROLACTONE RING AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME MITSUBISHI RAYON CO., LTD. (JP) 1992-07-22 EP disclosed
US-5045228-A Useful for high speed print heads MITSUBISHI RAYON COMPANY LTD. (JP) 1991-09-03 US disclosed
US-4925591-A FERROELECTRIC MITSUBISHI RAYON CO., LTD. (JP) 1990-05-15 US disclosed
EP-0321984-A1 Mesomorphic compound having beta-hydroxycarboxyl group as chiral source and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1989-06-28 EP disclosed
EP-0313379-A2 Optically active compound having delta-valerolactone ring and liquid crystal composition comprising same MITSUBISHI RAYON CO., LTD. (JP) 1989-04-26 EP disclosed