SCHEMBL11409293

SCHEMBL11409293

CC1(C)CC(N2CC(C(=O)OCc3ccccc3)CC2=O)CC(C)(C)N1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
TDP1 Q9NUW8 1/20 0.51
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
BACE1 P56817 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42

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
SCHEMBL28378581 0.81 BACE1 (0.50) HPGDTDP1ALDH1A1TSHRBACE1
SCHEMBL9032885 0.79 BRD4 (0.51) HPGDL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL11063994 0.77 POLB (0.56) MAPTTSHRMAPK1LMNAKMT2A
SCHEMBL6222371 0.76 HPGD (0.66) HPGDTDP1ATML3MBTL1ALDH1A1
SCHEMBL11273367 0.74 SMN1; SMN2 (0.45) HPGDTDP1L3MBTL1ALDH1A1TSHR
SCHEMBL27758268 0.74 HPGD (0.62) HPGDTDP1ATML3MBTL1ALDH1A1
SCHEMBL16695405 0.73 KMT2A (0.67) HPGDTDP1ATML3MBTL1ALDH1A1
SCHEMBL6758990 0.71 ALDH1A1 (0.51) HPGDTDP1L3MBTL1ALDH1A1TSHR
SCHEMBL3160414 0.71 TSHR (0.46) ALDH1A1TSHRBACE1SMN1; SMN2
SCHEMBL15709720 0.70 SMN1; SMN2 (0.53) L3MBTL1HTTSMN1; SMN2KMT2A

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-0020293-A1 Stabilising compounds, process for their preparation and compositions containing them CIBA-GEIGY AG (CH) 1980-12-10 EP disclosed