SCHEMBL2811459

SCHEMBL2811459

CCCCCC(=O)NCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.54
FAAH O00519 1/20 0.53
POLB P06746 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PAOX Q6QHF9 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL9633498 0.98 FAAH (0.55) TSHRHSD17B10FAAHPOLBALDH1A1
SCHEMBL26393724 0.98 FAAH (0.55) TSHRHSD17B10FAAHPOLBALDH1A1
SCHEMBL1726735 0.95 TSHR (0.57) TSHRHSD17B10POLBALDH1A1TDP1
SCHEMBL21999365 0.91 ALDH1A1 (0.60) HSD17B10FAAHALDH1A1KDM4EMEN1
SCHEMBL21999366 0.91 ALDH1A1 (0.60) HSD17B10FAAHALDH1A1KDM4EMEN1
SCHEMBL9544143 0.91 ALDH1A1 (0.60) HSD17B10FAAHALDH1A1KDM4EMEN1
SCHEMBL9633172 0.91 ALDH1A1 (0.60) HSD17B10FAAHALDH1A1KDM4EMEN1
SCHEMBL21998731 0.91 ALDH1A1 (0.60) HSD17B10FAAHALDH1A1KDM4EMEN1
SCHEMBL8591441 0.91 ALDH1A1 (0.60) HSD17B10FAAHALDH1A1KDM4EMEN1
SCHEMBL7747987 0.91 TLR2 (0.52) TSHRHSD17B10FAAHPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383804-A The crystal form of neurotrophin simulated compound and its salt 特罗菲克斯制药股份有限公司 2018-08-10 CN disclosed
CN-104761515-B The crystal formation of neurotrophin simulated compound and its salt 特罗菲克斯制药股份有限公司 2018-03-09 CN disclosed
WO-2017176040-A1 HETEROCYCLIC COMPOUND DECOMPOSING RAS AND USES THEREOF 연세대학교 산학협력단 2017-10-12 WO disclosed
WO-2010102212-A2 NEUROTROPHIN MIMETICS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-09-10 WO disclosed