SCHEMBL8106279

SCHEMBL8106279

CCCCc1c(C(C)(C)C)cc(N)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SKP2 Q13309 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SRC P12931 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL30640814 0.80 HTT (0.47) NPC1RAB9AHPGDMAPK1HTT
SCHEMBL28503016 0.77 MAPK1 (0.44) SKP2NPC1RAB9AHPGDMAPK1
SCHEMBL22284266 0.77 NPSR1 (0.40) NPC1RAB9AHPGDMAPK1HTT
SCHEMBL840773 0.76 SMN1; SMN2 (0.38) MAPK1NPSR1HTR1DMAPTTSHR
SCHEMBL27467179 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CNR1CNR2CYP2C9
SCHEMBL28416156 0.73 PTGS2 (0.53) HTTGPR84MAPTTSHRTP53
SCHEMBL2163573 0.73 HSPA5 (0.43) NPC1RAB9AHPGDMAPK1HTT
SCHEMBL5503406 0.72 SKP2 (0.37) SKP2NPC1RAB9AHPGDMAPK1
SCHEMBL22284270 0.72 NPSR1 (0.37) NPC1RAB9AHPGDMAPK1HTT
SCHEMBL11340841 0.72 SKP2 (0.43) SKP2NPC1RAB9AHPGDMAPK1

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
US-6031015-A POLYMERIZABLE POLYESTER OF 1-10 REPEATING UNITS BEING MODIFIED ON BOTH ENDS BY A HYDROXYALKYL (METH)ACRYLATE; SHRINKAGE INHIBITION; LOW VISCOSITY; MECHANICAL STRENGTH; CAN INCLUDE MORE FILLER THAN USUAL IVOCLAR AG (LI) 2000-02-29 — — US disclosed
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