SCHEMBL9639778

SCHEMBL9639778

CCCCCCC(C)(NCCCCCCN)C(C)(O)C(C)NCCCCCCN

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
DNM1 Q05193 8/20 0.35
EPHX1 P07099 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SLC6A5 Q9Y345 2/20 0.32
RRM1 P23921 1/20 0.32
TLR2 O60603 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
SCHEMBL21799673 0.72 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21799721 0.72 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21799645 0.72 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21799582 0.72 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21799874 0.72 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21799741 0.72 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL22126222 0.72 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21799632 0.72 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19558842 0.71 DNM1 (0.50) GNAI3GNAO1GNAI1DNM1EPHX1
SCHEMBL21800057 0.70 CA12 (0.39) DNM1MEN1KMT2ATSHR

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-0301403-B1 CURING AGENT FOR SYNTHETIC RESINS, COMPOSITIONS CONTAINING THE SAME AND USES OF THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-15 EP disclosed
US-4847346-A HYDROXYALKYLPYRIDINE BLOCKED DIISOCYANATES AS CURING AGENTS HOECHST AG (DE) 1989-07-11 US disclosed
EP-0301403-A2 Curing agent for synthetic resins, compositions containing the same and uses of them HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed