SCHEMBL1697181

SCHEMBL1697181

CCCCCCOc1c(CC)cccc1-c1ncncn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMPD1 P17405 3/20 0.36
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GSTA1 P08263 2/20 0.36
GSTP1 P09211 2/20 0.36
PLA2G4B P0C869 1/20 0.35

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
SCHEMBL3434962 0.89 ELANE (0.33) LMNASMPD1NFKB1NFKB2RELA
SCHEMBL3134741 0.87 SGMS2 (0.34) LMNAMAPT
SCHEMBL1372005 0.83 LMNA (0.36) LMNANFKB1NFKB2RELANPC1
SCHEMBL17294439 0.83 THRA (0.35) SMPD1THRATHRBGSTA1GSTP1
SCHEMBL2709504 0.80 CYP1A2 (0.41) SMN1; SMN2MAPTTSHR
SCHEMBL404718 0.78 PPARA (0.41) LMNASMN1; SMN2MAPTTSHR
SCHEMBL27600953 0.77 CYP1A2 (0.51) LMNAMAPTTHRATHRB
SCHEMBL28293909 0.73 TSHR (0.41) LMNASMPD1MAPTTSHRTP53
SCHEMBL1419945 0.73 BID (0.49) MAPTTSHR
SCHEMBL15176184 0.71 TSHR (0.40) LMNATSHRTHRATHRB

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-2575750-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE International Flora Technologies, Ltd. (US) 2013-04-10 EP claimed
WO-2011149929-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE INTERNATIONAL FLORA TECHNOLOGIES LTD. (US) 2011-12-01 WO claimed
EP-3079777-A1 EMULSION COMPOSITIONS AND APPLICATIONS THEREFOR Momentive Performance Materials Inc. (US) 2016-10-19 EP disclosed
WO-2015089035-A1 EMULSION COMPOSITIONS AND APPLICATIONS THEREFOR MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2015-06-18 WO disclosed
EP-2575750-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE International Flora Technologies, Ltd. (US) 2013-04-10 EP disclosed
WO-2011149929-A2 SUNSCREEN COMPOSITIONS CONTAINING HYDROLYZED JOJOBA ESTERS FOR IMPROVED WATER RESISTANCE INTERNATIONAL FLORA TECHNOLOGIES LTD. (US) 2011-12-01 WO disclosed