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SCHEMBL10742946

SCHEMBL10742946

CCOC(=O)[C@H](C[C@H](O)c1ccccc1)N1[C@@H]2C=CCC[C@@H]2C[C@@]1(C(=O)O)C(=O)C(C)N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ SLC6A2 P23975 3/20 0.31
▸ SLC6A3 Q01959 3/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL9732651 0.85 ACE (0.40) SMN1; SMN2
Hydrochloric Acid SCHEMBL10741835 0.85 ACE (0.40) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL10742756 0.81 ACE (0.37) SMN1; SMN2
SCHEMBL10735598 0.78 ACE (0.35) SMN1; SMN2
SCHEMBL10742800 0.78 ACE (0.35) SMN1; SMN2
SCHEMBL9520888 0.69 ACE (0.48) SMN1; SMN2
SCHEMBL5794084 0.69 ACE (0.48) SMN1; SMN2
SCHEMBL9733291 0.63 ACE (0.45) SMN1; SMN2
SCHEMBL27996987 0.60 MMP8 (0.51) ALDH1A1KDM4ENPC1TSHRRAB9A
Biphenyl SCHEMBL28053100 0.60 PIN1 (0.50) ALDH1A1KDM4ENPC1HPGDTSHR

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
US-4668797-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-26 — — US disclosed