SCHEMBL28787147

SCHEMBL28787147

CCCCCCCC/C=C\CCCCCCCCCC(C)CC(C)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.53
PPARD Q03181 4/20 0.53
PPARA Q07869 4/20 0.53
TERT O14746 3/20 0.53
PTPN1 P18031 3/20 0.53
TOP1 P11387 3/20 0.53
HSD17B10 Q99714 3/20 0.53
FABP4 P15090 3/20 0.53
F7 P08709 3/20 0.53
F3 P13726 3/20 0.53
MAPT P10636 2/20 0.53
BLM P54132 2/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 2/20 0.53
DUSP3 P51452 2/20 0.53
CYP19A1 P11511 2/20 0.53
PTGS1 P23219 2/20 0.53
NR4A2 P43354 2/20 0.53
SIRT6 Q8N6T7 2/20 0.53
PTPN7 P35236 2/20 0.53

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
SCHEMBL28787207 0.92 TERT (0.58) PPARGPPARDPPARATERTPTPN1
SCHEMBL28410211 0.92 TERT (0.58) PPARGPPARDPPARATERTPTPN1
SCHEMBL28838071 0.92 TERT (0.58) PPARGPPARDPPARATERTPTPN1
SCHEMBL28977794 0.90 GPR84 (0.58) PPARGPPARDPPARAPTPN1HSD17B10
SCHEMBL9935130 0.90 GPR84 (0.58) PPARGPPARDPPARAPTPN1HSD17B10
SCHEMBL31509289 0.90 GPR84 (0.58) PPARGPPARDPPARAPTPN1HSD17B10
SCHEMBL17923464 0.90 GPR84 (0.58) PPARGPPARDPPARAPTPN1HSD17B10
SCHEMBL31508560 0.90 GPR84 (0.58) PPARGPPARDPPARAPTPN1HSD17B10
SCHEMBL8331964 0.89 F7 (0.58) PPARGPPARDPPARATERTPTPN1
SCHEMBL7213085 0.89 F7 (0.58) PPARGPPARDPPARATERTPTPN1

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
CN-110437247-B Mixed source terpenoid with liver protection function and application thereof 中国医学科学院药物研究所 2022-06-21 CN disclosed