SCHEMBL27309641

SCHEMBL27309641

CC(C)CCc1cc(N)ccc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ANPEP P15144 1/20 0.33
PRKCI P41743 1/20 0.33
ACHE P22303 1/20 0.33
AKT1 P31749 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL5372205 0.81 TDP1 (0.40) TDP1GAAALDH1A1NOS3NOS1
SCHEMBL7196628 0.81 TDP1 (0.40) TDP1GAAALDH1A1NOS3NOS1
SCHEMBL12446950 0.79 PRKCI (0.40) TDP1GAAALDH1A1ANPEPPRKCI
SCHEMBL14434428 0.78 PRKCI (0.53) TDP1GAAALDH1A1PRKCIACHE
SCHEMBL6681498 0.72 GABRA1 (0.41) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5847934 0.72 GAA (0.39) GAAALDH1A1ANPEPPRKCIACHE
SCHEMBL30102587 0.71 ANPEP (0.41) GAAALDH1A1ANPEPACHEMAPT
SCHEMBL2379856 0.71 ANPEP (0.41) GAAALDH1A1ANPEPACHEMAPT
SCHEMBL5028841 0.70 AKT1 (0.40) TDP1GAAALDH1A1NOS3NOS1
SCHEMBL11098645 0.70 ALDH1A1 (0.39) TDP1ALDH1A1ANPEPPRKCIACHE

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
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed