SCHEMBL28050294

SCHEMBL28050294

CCCCCCCC=CC=C(C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.49
PTPN1 P18031 3/20 0.46
FAAH O00519 6/20 0.45
TERT O14746 3/20 0.43
MAPT P10636 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FABP4 P15090 2/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL10429890 1.00 FASN (0.49) FASNPTPN1FAAHTERTMAPT
SCHEMBL18097887 1.00 FASN (0.49) FASNPTPN1FAAHTERTMAPT
SCHEMBL8582738 1.00 FASN (0.49) FASNPTPN1FAAHTERTMAPT
SCHEMBL8581126 0.98 FASN (0.46) FASNPTPN1FAAHMAPTBLM
SCHEMBL8581124 0.98 FASN (0.46) FASNPTPN1FAAHMAPTBLM
SCHEMBL31129124 0.94 FASN (0.50) FASNPTPN1FAAH
SCHEMBL29188769 0.86 TAS1R3 (0.37) FASNPTPN1FAAHHSD17B10PPARA
SCHEMBL28124831 0.83 FASN (0.45) FASNPTPN1FAAHMAPTBLM
SCHEMBL16469913 0.82 FASN (0.55) FASNPTPN1FAAHTERTMAPT
SCHEMBL28092775 0.81 FAAH (0.49) PTPN1FAAHTERTMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294422-B Produce the method and 4- carboxyl -3,5- dimethyl -3,5- dodecadienoic acid of 3,5- dimethyl dodecyl acid 信越化学工业株式会社 2019-03-29 CN disclosed
CN-105294422-A Method for producing 3,5-dimethyldodecanoic acid and 4-carboxy-3,5-dimethyl-3,5-dodecadienoic acid SHINETSU CHEMICAL CO 2016-02-03 CN disclosed