SCHEMBL1028637

SCHEMBL1028637

CCCCCCC(CCCN)C(C)(C)N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
SPHK1 Q9NYA1 1/20 0.41
FDPS P14324 4/20 0.40
OPRM1 P35372 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38

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
Hydrochloric Acid SCHEMBL1025480 0.98 DNM1 (0.50) DNM1MEN1KMT2AALDH1A1TSHR
Bromide SCHEMBL1029254 0.98 DNM1 (0.50) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6351247 0.91 FDPS (0.45) DNM1TSHRSPHK1FDPSOPRM1
SCHEMBL9635328 0.91 FDPS (0.45) DNM1TSHRSPHK1FDPSOPRM1
SCHEMBL16908418 0.91 FDPS (0.45) DNM1TSHRSPHK1FDPSOPRM1
SCHEMBL9051998 0.91 FDPS (0.45) DNM1TSHRSPHK1FDPSOPRM1
SCHEMBL13058111 0.91 FDPS (0.45) DNM1TSHRSPHK1FDPSOPRM1
SCHEMBL16109187 0.91 FDPS (0.45) DNM1TSHRSPHK1FDPSOPRM1
Hydrochloric Acid SCHEMBL6890298 0.89 FDPS (0.44) DNM1TSHRSPHK1FDPSOPRM1
SCHEMBL11483106 0.89 FDPS (0.48) DNM1TSHRSPHK1FDPSOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152687-B1 METHOD FOR PRODUCING CARBONATE-TERMINATED COMPOUNDS SALTIGO GMBH (DE) 2011-01-19 EP claimed