SCHEMBL9950848

SCHEMBL9950848

C/C(CC(C)C)=N/CCCCCC/N=C(/C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS2 P35228 3/20 0.33
HTT P42858 1/20 0.32
DHPS P49366 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL9950853 1.00 ALDH1A1 (0.36) ALDH1A1TDP1MEN1KMT2ANOS2
SCHEMBL9952201 1.00 ALDH1A1 (0.36) ALDH1A1TDP1MEN1KMT2ANOS2
SCHEMBL11892004 1.00 ALDH1A1 (0.36) ALDH1A1TDP1MEN1KMT2ANOS2
SCHEMBL9952199 1.00 ALDH1A1 (0.36) ALDH1A1TDP1MEN1KMT2ANOS2
SCHEMBL10022735 1.00 ALDH1A1 (0.36) ALDH1A1TDP1MEN1KMT2ANOS2
SCHEMBL31448630 0.92 ALDH1A1 (0.38) ALDH1A1TDP1HTT
SCHEMBL30038765 0.91 MEN1 (0.48) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL21655243 0.91 MEN1 (0.48) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL27866748 0.91 MEN1 (0.48) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL551821 0.88 CXCR4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566828-B2 Composition based on natural rubber and a polyimine compound MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2017-02-14 US claimed
EP-2451656-B1 composition based on natural rubber and a polyimine compound MICHELIN & CIE (FR) 2015-11-25 EP claimed
US-9006321-B2 Composition made from natural rubber and a polyimine compound COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2015-04-14 US claimed
EP-2451658-B1 COMPOSITION MADE FROM NATURAL RUBBER AND A POLYIMINE COMPOUND MICHELIN & CIE (FR) 2014-09-10 EP claimed
US-20120196960-A1 COMPOSITION MADE FROM NATURAL RUBBER AND A POLYIMINE COMPOUND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2012-08-02 US claimed
US-20120165449-A1 COMPOSITION BASED ON NATURAL RUBBER AND A POLYIMINE COMPOUND MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2012-06-28 US claimed
US-9714339-B2 Rubber composition comprising an epoxy resin and a polyimine hardener COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-07-25 US disclosed
US-9566828-B2 Composition based on natural rubber and a polyimine compound MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2017-02-14 US disclosed
EP-2451656-B1 composition based on natural rubber and a polyimine compound MICHELIN & CIE (FR) 2015-11-25 EP disclosed
US-20150183983-A1 RUBBER COMPOSITION COMPRISING AN EPOXY RESIN AND A POLYIMINE HARDENER MICHELIN RECHERCHE ET TECHNIQUE, S.A. (CH) 2015-07-02 US disclosed
US-9006321-B2 Composition made from natural rubber and a polyimine compound COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2015-04-14 US disclosed
US-20120196960-A1 COMPOSITION MADE FROM NATURAL RUBBER AND A POLYIMINE COMPOUND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2012-08-02 US disclosed
US-20120165449-A1 COMPOSITION BASED ON NATURAL RUBBER AND A POLYIMINE COMPOUND MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2012-06-28 US disclosed