SCHEMBL29010373

SCHEMBL29010373

CCCCC1=CCC(C)=C1.CCCCC1=CCC(C)=C1.[Zr]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SKP2 Q13309 1/20 0.32
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL1539590 0.98 NPC1 (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL924997 0.98 NPC1 (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27988027 0.96 NPC1 (0.35) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27988016 0.96 NPC1 (0.35) NPC1HPGDMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL3802951 0.94 NPC1 (0.34) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6250217 0.92 PTGS2 (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6250287 0.90 PTGS2 (0.38) KDM4E
SCHEMBL6253785 0.90 PTGS2 (0.38) KDM4E
SCHEMBL6253058 0.90 PTGS2 (0.38) KDM4E
Hydrochloric Acid SCHEMBL8397551 0.88 PTGS2 (0.37) KDM4E

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-116234838-A Multimodal ethylene copolymers 博里利斯股份公司 2023-06-06 CN disclosed