SCHEMBL16334266

SCHEMBL16334266

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[Ru]=C1C(c2ccccc2)=Cc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19547127 0.79 PTPN1 (0.37) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Biphenyl SCHEMBL28193720 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4450657 0.72 PTPN1 (0.36) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL994817 0.72 PTPN1 (0.36) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28814401 0.71 ALDH1A1 (0.33) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL994818 0.70 PTPN1 (0.37) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL727947 0.70 PTPN1 (0.34) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28887375 0.70 PTPN1 (0.34) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL15994605 0.70
Toluene SCHEMBL899669 0.67 TSHR (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013886-A1 THERMAL INSULATION Materia, Inc. (US) 2016-05-04 EP disclosed
WO-2015134095-A1 THERMAL INSULATION MATERIA, INC. (US) 2015-09-11 WO disclosed
WO-2014210076-A1 THERMAL INSULATION MATERIA, INC. (US) 2014-12-31 WO disclosed