SCHEMBL7641055

SCHEMBL7641055

CC(O)N(CC(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.41
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CD274 Q9NZQ7 3/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 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
SCHEMBL31634803 0.84 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30940320 0.80 PNMT (0.43) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1622969 0.80 PNMT (0.40) PNMTNPC1RAB9AMMP12MMP13
SCHEMBL7641059 0.79 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL8854105 0.77 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL18764817 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1830400 0.77 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29168371 0.77 CTSK (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7037299 0.77 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL26981184 0.76 PNMT (0.41) PNMTNPC1RAB9AMMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 — — US disclosed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 — — US disclosed
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 — — EP disclosed
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