SCHEMBL30197891

SCHEMBL30197891

C[C@H]1CC(C)(C)c2cccc(N)c21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CD44 P16070 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 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
SCHEMBL8626918 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
SCHEMBL16991796 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
SCHEMBL29522211 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
SCHEMBL29522160 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
SCHEMBL2779868 1.00 ALDH1A1 (0.41) ALDH1A1MAPTCD44KDM4EMEN1
Hydrochloric Acid SCHEMBL17216600 0.98 ALDH1A1 (0.40) ALDH1A1MAPTCD44KDM4EMEN1
Bromide SCHEMBL17217542 0.98 ALDH1A1 (0.40) ALDH1A1MAPTCD44KDM4EMEN1
Sulfuric Acid SCHEMBL25199808 0.88 ALDH1A1 (0.43) ALDH1A1MAPT
Cadaverine Tartrate SCHEMBL16774507 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ELMNA
Cadaverine Tartrate SCHEMBL25220108 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ELMNA

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-115836041-A Process for producing optically active compound 住友化学株式会社 2023-03-21 CN disclosed