SCHEMBL30954733

SCHEMBL30954733

Nc1ccc2c(c1)C1(CCC(F)(F)CC1)CO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.39
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRSS1 P07477 3/20 0.32
PRSS2 P07478 3/20 0.32
PRSS3 P35030 3/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL30954691 0.81 BACE1 (0.50) BACE1MAPTLMNA
SCHEMBL30954693 0.81 BACE1 (0.50) BACE1MAPTLMNA
SCHEMBL8402825 0.79 CA9 (0.38) BACE1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL6927966 0.78 HTR1D (0.39) MAPTKDM4EPRSS1PRSS2PRSS3
SCHEMBL6603179 0.78 CYP2D6 (0.39) PRSS1PRSS2PRSS3
SCHEMBL30954739 0.76 TNKS (0.39)
SCHEMBL30974103 0.74 AKR1B1 (0.45) BACE1MAPT
SCHEMBL8353721 0.74 HTR1D (0.37) MAPTGAAKDM4ESMN1; SMN2MEN1
SCHEMBL6603189 0.73 S1PR5 (0.39) PRSS1PRSS2PRSS3
SCHEMBL15542586 0.71 MAPT (0.44) BACE1MAPTGAAKDM4ESMN1; SMN2

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
WO-2024125488-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2024-06-20 WO disclosed