SCHEMBL7787829

SCHEMBL7787829

Nc1ccc(C(=O)OC[C@H](N)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A5 Q15758 1/20 0.71
▸ LMNA P02545 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ MAOA P21397 2/20 0.56
▸ ADRB2 P07550 3/20 0.54
▸ ADRB1 P08588 3/20 0.54
▸ ADRB3 P13945 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ TSHR P16473 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ PHLPP2 Q6ZVD8 1/20 0.49
▸ SCN1A P35498 2/20 0.48
▸ SCN2A Q99250 2/20 0.48
▸ SCN3A Q9NY46 2/20 0.48
▸ IDO1 P14902 2/20 0.48

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
SCHEMBL3450330 0.86 SLC1A5 (0.81) SLC1A5LMNAADRB2ADRB1ADRB3
SCHEMBL3450327 0.86 SLC1A5 (0.81) SLC1A5LMNAADRB2ADRB1ADRB3
SCHEMBL20243013 0.83 SLC1A5 (1.00) SLC1A5LMNAALDH1A1IDO1GAA
SCHEMBL24354992 0.83 SLC1A5 (0.77) SLC1A5LMNAADRB2ADRB1ADRB3
SCHEMBL20243012 0.83 SLC1A5 (1.00) SLC1A5LMNAALDH1A1IDO1GAA
SCHEMBL27523475 0.81 SLC1A5 (0.64) SLC1A5LMNAADRB2ADRB1ADRB3
SCHEMBL24354986 0.80 SLC1A5 (0.71) SLC1A5LMNACYP1A2ADRB2ADRB1
Isobutamben SCHEMBL25178 0.79 ADRB2 (0.65) LMNACYP1A2CYP3A4MAOAADRB2
SCHEMBL7027777 0.79 ADRB2 (0.65) LMNACYP1A2CYP3A4MAOAADRB2
SCHEMBL5935394 0.77 ADRB2 (0.68) LMNACYP1A2CYP3A4MAOAADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785768-B1 O-ACYL SERINES AS DEODORANTS GILLETTE CO (US) 2001-11-28 — — EP claimed
US-5800804-A DEODORIZING COMPOSITION USING AMINO ACID DERIVATIVES THE GILLETTE COMPANY (US) 1998-09-01 — — US claimed
US-5431904-A O-acyl serines as deodorants THE GILLETTE COMPANY (US) 1995-07-11 — — US claimed
EP-0785768-B1 O-ACYL SERINES AS DEODORANTS GILLETTE CO (US) 2001-11-28 — — EP disclosed
US-5800804-A DEODORIZING COMPOSITION USING AMINO ACID DERIVATIVES THE GILLETTE COMPANY (US) 1998-09-01 — — US disclosed
EP-0785768-A4 — — 1997-07-30 — — EP disclosed
EP-0785768-A1 O-ACYL SERINES AS DEODORANTS THE GILLETTE COMPANY (US) 1997-07-30 — — EP disclosed
US-5648513-A DEODORANTS LANEY JUDITH WOLFE (US) 1997-07-15 — — US disclosed
US-5431904-A O-acyl serines as deodorants THE GILLETTE COMPANY (US) 1995-07-11 — — US disclosed
WO-1995007069-A1 O-ACYL SERINES AS DEODORANTS THE GILLETTE COMPANY (US) 1995-03-16 — — WO disclosed
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