SCHEMBL30748919

SCHEMBL30748919

C[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ROCK1 Q13464 1/20 0.41
LPL P06858 5/20 0.40
LIPG Q9Y5X9 5/20 0.40
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL15657536 1.00 KDM4E (0.46) KDM4EHTTPDE3BPDE3AROCK1
SCHEMBL14241709 0.85 ROCK1 (0.38) PDE3BPDE3AROCK1LPLLIPG
SCHEMBL4495894 0.82 ALDH1A1 (0.39) KDM4EHTTPDE3BPDE3AROCK1
SCHEMBL25715171 0.81 ALDH1A1 (0.44) HTTROCK1LPLLIPGALDH1A1
SCHEMBL27159745 0.80 ALDH1A1 (0.36) KDM4EHTTROCK1LPLLIPG
SCHEMBL17531637 0.80 ALDH1A1 (0.44) HTTROCK1LPLLIPGALDH1A1
Hydrochloric Acid SCHEMBL27204333 0.79 ALDH1A1 (0.35) KDM4EHTTROCK1LPLLIPG
Hydrochloric Acid SCHEMBL27159838 0.79 ALDH1A1 (0.35) KDM4EHTTROCK1LPLLIPG
SCHEMBL27009116 0.79 ROCK1 (0.41) PDE3BPDE3AROCK1LPLLIPG
SCHEMBL13718438 0.78 ALDH1A1 (0.46) KDM4EHTTPDE3BPDE3AROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565588-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF Suzhou Keen Therapeutics Co., Ltd. (CN) 2025-06-11 EP disclosed
WO-2023241620-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF SUZHOU KEEN THERAPEUTICS CO., LTD. (CN) 2023-12-21 WO disclosed