SCHEMBL28299209

SCHEMBL28299209

CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)cc1.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PPARA Q07869 1/20 0.56
GPR35 Q9HC97 1/20 0.56
TSHR P16473 4/20 0.55
LMNA P02545 3/20 0.55
ESR1 P03372 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
NR1H2 P55055 1/20 0.55
RNASEL Q05823 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55

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
SCHEMBL22289845 0.96 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL27543962 0.96 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL27633236 0.96 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL27393188 0.96 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL4143411 0.96 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL25233088 0.93 TSHR (0.58) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL28776460 0.93 TSHR (0.58) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL15224 0.93 TSHR (0.60) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL5431049 0.93 TSHR (0.60) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL336160 0.93 TSHR (0.60) ALDH1A1NPC1MAPTRAB9ATSHR

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-208861684-U A kind of novel environment-friendly flexible polyvinyl chloride cable 浙江高盛输变电设备股份有限公司 2019-05-14 CN disclosed