SCHEMBL25569236

SCHEMBL25569236

Nc1ccc(C(=O)O[C@@H]2CCC[C@@](N)(c3ccccc3Cl)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ SLC18A3 Q16572 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ PPID Q08752 1/20 0.32
▸ PPIG Q13427 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL26378171 0.92 LMNA (0.37) ALDH1A1KDM4EHDAC4GRIN2DGRIN3B
SCHEMBL25569243 0.88 SLC18A3 (0.35) ALDH1A1KDM4ESLC18A3PRKCAMEN1
SCHEMBL25569238 0.88 SLC18A3 (0.35) ALDH1A1KDM4ESLC18A3PRKCAMEN1
SCHEMBL26378117 0.84 PTPN1 (0.39) HDAC4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26378231 0.84 PTPN1 (0.39) HDAC4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16142101 0.84 HDAC4 (0.38) POLBHDAC4GRIN2DGRIN3BGRIN1
SCHEMBL16139860 0.82 KDM4E (0.42) ALDH1A1KDM4EPOLBLMNAMEN1
SCHEMBL26378110 0.80 HDAC4 (0.32) POLBHDAC4GRIN2DGRIN3BGRIN1
SCHEMBL26378109 0.80 HDAC4 (0.32) POLBHDAC4GRIN2DGRIN3BGRIN1
SCHEMBL16139854 0.80 HDAC4 (0.35) POLBHDAC4GRIN2DGRIN3BGRIN1

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-4186889-A1 LONG-ACTING AND LOW-ADDICTION COMPOUND AND PREPARATION METHOD THEREFOR Shenzen Ruijian Biotechnology Co., Ltd. (CN) 2023-05-31 — — EP disclosed
Send feedback