SCHEMBL7149029

SCHEMBL7149029

CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OCC(C)OC(=O)c3ccc(OC(=O)c4ccc(OCCCCCC)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
LMNA P02545 3/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 2/20 0.58
MAPT P10636 5/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 1/20 0.52
PRSS1 P07477 1/20 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
SCHEMBL9488413 1.00 NPC1 (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9489033 1.00 NPC1 (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9487474 1.00 NPC1 (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9487267 0.99 LMNA (0.60) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9488669 0.96 TSHR (0.62) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9489051 0.95 TSHR (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9489116 0.95 TSHR (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9487467 0.95 TSHR (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9489353 0.95 TSHR (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9488526 0.94 TSHR (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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6669999-B2 Non-isothermally polymerizing mixture of chiral liquid crystal having cholesteric liquid crystal phase and chiral liquid crystal having temperature-dependent helicity and helix inversion characteristic at helix inversion temperature INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2003-12-30 US claimed
US-20020180912-A1 Application and method for broadening bandwidth of cholesteric LC INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2002-12-05 US claimed
US-4988458-A Liquid crystal phase containing admixtures which effect temperature compensation HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-29 US claimed
US-6669999-B2 Non-isothermally polymerizing mixture of chiral liquid crystal having cholesteric liquid crystal phase and chiral liquid crystal having temperature-dependent helicity and helix inversion characteristic at helix inversion temperature INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2003-12-30 US disclosed
US-20020180912-A1 Application and method for broadening bandwidth of cholesteric LC INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2002-12-05 US disclosed
US-5236618-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-17 US disclosed
US-4988458-A Liquid crystal phase containing admixtures which effect temperature compensation HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0218132-B1 LIQUID-CRYSTAL PHASE CONTAINING A DOPANT AGENT HAVING A TEMPERATURE-COMPENSATING EFFECT HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-24 EP disclosed
US-4744918-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-05-17 US disclosed
EP-0218132-A1 Liquid-crystal phase containing a dopant agent having a temperature-compensating effect HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-15 EP disclosed
EP-0168043-A2 Liquid crystal phase MERCK PATENT GmbH (DE) 1986-01-15 EP disclosed