SCHEMBL3698446

SCHEMBL3698446

CC[C]CCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.50
PTPN7 P35236 3/20 0.39
HMGCR P04035 1/20 0.39
DNM1 Q05193 5/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 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
SCHEMBL2877244 1.00
SCHEMBL3693855 0.97
SCHEMBL501949 0.87
SCHEMBL14759610 0.87 TSHR (0.57) TSHRTHRBPTPN7HMGCRDNM1
SCHEMBL11579416 0.87 TSHR (0.57) TSHRTHRBPTPN7HMGCRDNM1
SCHEMBL3695352 0.87 TSHR (0.57) TSHRTHRBPTPN7HMGCRDNM1
SCHEMBL10631303 0.87 TSHR (0.57) TSHRTHRBPTPN7HMGCRDNM1
SCHEMBL6745588 0.87 TSHR (0.57) TSHRTHRBPTPN7HMGCRDNM1
SCHEMBL14760261 0.87 TSHR (0.57) TSHRTHRBPTPN7HMGCRDNM1
SCHEMBL14759596 0.87 TSHR (0.57) TSHRTHRBPTPN7HMGCRDNM1

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
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed