SCHEMBL30648232

SCHEMBL30648232

Cc1cc(CCc2cc(C)cc(C3CCCCC3)c2O)c(O)c(C2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 2/20 0.39
PSMB5 P28074 1/20 0.39
NR1I2 O75469 1/20 0.38
KDM4B O94953 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
DOHH Q9BU89 1/20 0.38
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
ALOX12 P18054 2/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL29556326 0.90 AMY1A (0.43) PTGDR2KDM4ENUDT1BACE1MEN1
SCHEMBL34995 0.90 AMY1A (0.43) PTGDR2KDM4ENUDT1BACE1MEN1
SCHEMBL29381510 0.90 AMY1A (0.43) PTGDR2KDM4ENUDT1BACE1MEN1
SCHEMBL13992561 0.88 AMY1A (0.46) PTGDR2KDM4ENUDT1BACE1MEN1
Methane SCHEMBL11207610 0.88 AMY1A (0.42) PTGDR2KDM4ENUDT1BACE1MEN1
SCHEMBL11595709 0.88 AMY1A (0.44) PTGDR2KDM4ENUDT1BACE1MEN1
SCHEMBL11704489 0.87 CNR1 (0.42) PTGDR2MAPTHTR2ACNR1CNR2
SCHEMBL10956529 0.85 KDM4E (0.46) PTGDR2KDM4ENUDT1BACE1MEN1
SCHEMBL2334220 0.85 KDM4E (0.46) PTGDR2KDM4ENUDT1BACE1MEN1
SCHEMBL294290 0.85 KDM4E (0.46) PTGDR2KDM4ENUDT1BACE1MEN1

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-117120454-A Phosphite compound, process for producing the same, and use thereof 住友化学株式会社 2023-11-24 CN disclosed