SCHEMBL28567078

SCHEMBL28567078

CCC(N[C@H](C)c1ccccc1)c1ccc(OC)c(S(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CASR P41180 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ACP3 P15309 2/20 0.39
▸ MEN1 O00255 1/20 0.39

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
Hydrochloric Acid SCHEMBL28440131 0.87 CA1 (0.45) CA1CA2ACHEALDH1A1SMN1; SMN2
SCHEMBL2429677 0.80 SIGMAR1 (0.51) ALDH1A1KMT2AMAPTLMNACASR
SCHEMBL2423875 0.80 SIGMAR1 (0.51) ALDH1A1KMT2AMAPTLMNACASR
SCHEMBL2423873 0.80 SIGMAR1 (0.51) ALDH1A1KMT2AMAPTLMNACASR
SCHEMBL11151390 0.79 ALDH1A1 (0.47) CA1CA2ACHEALDH1A1KMT2A
SCHEMBL15202689 0.79 SMN1; SMN2 (0.51) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL31169130 0.78 PDE4B (0.58) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL15194423 0.78 PDE4B (0.58) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL15194245 0.78 PDE4B (0.58) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL15202855 0.78 PDE4B (0.58) MAPTLMNASMN1; SMN2NPSR1

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-112824378-A Preparation method of tamsulosin hydrochloride 珠海润都制药股份有限公司 2021-05-21 — — CN disclosed
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