SCHEMBL901938

SCHEMBL901938

N[C@@H](CC(=O)O)C(=O)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2D6 P10635 2/20 0.37
KMT2A Q03164 2/20 0.37
GABBR2 O75899 4/20 0.34
GABBR1 Q9UBS5 4/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
MMP14 P50281 1/20 0.33
MMP15 P51511 1/20 0.33
MMP16 P51512 1/20 0.33
MMP26 Q9NRE1 1/20 0.33
LTA4H P09960 2/20 0.33
KMO O15229 2/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL9959750 1.00 CYP2C9 (0.37) CYP2C9CYP2C19MEN1CYP2D6KMT2A
SCHEMBL8506429 0.82 ALKBH5 (0.47) CYP2C19MEN1KMT2AGABBR2GABBR1
SCHEMBL11133283 0.82 ALKBH5 (0.47) CYP2C19MEN1KMT2AGABBR2GABBR1
SCHEMBL10708853 0.82 ALKBH5 (0.47) CYP2C19MEN1KMT2AGABBR2GABBR1
SCHEMBL27707450 0.80 SLC7A5 (0.44) LTA4HSLC7A5
SCHEMBL28784769 0.79 PTGS1 (0.40) MMP2PTGS1
SCHEMBL27791200 0.79 PTGS1 (0.40) MMP2PTGS1
Bromide SCHEMBL6489944 0.78 SLC7A5 (0.46) ALPIPKMSLC7A5KIF11LMNA
SCHEMBL20560043 0.75 ALDH1A1 (0.50) CYP2C9CYP2C19MEN1CYP2D6KMT2A
SCHEMBL9539475 0.75 ALDH1A1 (0.50) CYP2C9CYP2C19MEN1CYP2D6KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075017-A1 NEW PROCESS FOR SYNTHESIZING A POLYPEPTIDE FLORK, Michel (FR) 1983-03-30 EP claimed
WO-1982003075-A1 NEW PROCESS FOR SYNTHESIZING A POLYPEPTIDE FLORK MICHEL 1982-09-16 WO claimed
US-11116709-B2 Fluoride free and anionic surfactant free dentifrice having a high micro efficacy COLGATE-PALMOLIVE COMPANY (US) 2021-09-14 US disclosed
US-20190269588-A1 Fluoride Free and Anionic Surfactant Free Dentifrice Having a High Micro Efficacy COLGATE-PALMOLIVE COMPANY (US) 2019-09-05 US disclosed
US-10258554-B2 Fluoride free and anionic surfactant free dentifrice having a high micro efficacy COLGATE-PALMOLIVE COMPANY (US) 2019-04-16 US disclosed
EP-2521529-B1 ORAL CARE COMPOSITIONS CONTAINING A CHALCONE COLOR CHANGE COMPONENT COLGATE PALMOLIVE CO (US) 2017-07-26 EP disclosed
EP-2621458-B1 ANTIMICROBIAL DENTAL CARE PREPARATION GEISTLICH PHARMA AG (CH) 2017-04-19 EP disclosed
EP-3079647-A1 HIGH SALT TOOTHPASTE WITH STABLE VISCOSITY Colgate-Palmolive Company (US) 2016-10-19 EP disclosed
US-9265703-B2 Color change of chalcone-containing oral care formulations COLGATE-PALMOLIVE COMPANY (US) 2016-02-23 US disclosed
EP-2528580-B1 FLUORIDE FREE AND ANIONIC SURFACTANT FREE DENTIFRICE HAVING A HIGH MICRO EFFICACY COLGATE PALMOLIVE CO (US) 2015-11-11 EP disclosed
WO-2015085502-A1 HIGH SALT TOOTHPASTE WITH STABLE VISCOSITY COLGATE-PALMOLIVE COMPANY (US) 2015-06-18 WO disclosed
EP-0850042-A4 COMPOSITION AND METHOD FOR REMINERALIZATION OF TEETH ENAMELON INC (US) 2000-01-05 EP disclosed
EP-0850042-A1 COMPOSITION AND METHOD FOR REMINERALIZATION OF TEETH Enamelon, Inc. (US) 1998-07-01 EP disclosed
WO-1997005854-A1 COMPOSITION AND METHOD FOR REMINERALIZATION OF TEETH ENAMELON, INC. (US) 1997-02-20 WO disclosed
WO-1996029986-A1 ANTITUSSIVE MICROCAPSULES THE PROCTER & GAMBLE COMPANY (US) 1996-10-03 WO disclosed
US-5466437-A Contains noncationic bactericide and antibacterial-enhancing agent COLGATE PALMOLIVE COMPANY (US) 1995-11-14 US disclosed
WO-1995001156-A1 BREATH PROTECTION MICROCAPSULES THE PROCTER & GAMBLE COMPANY (US) 1995-01-12 WO disclosed
CN-85105797-A The preparation of antimicrobial compounds 1986-08-27 CN disclosed
EP-0075017-A1 NEW PROCESS FOR SYNTHESIZING A POLYPEPTIDE FLORK, Michel (FR) 1983-03-30 EP disclosed
WO-1982003075-A1 NEW PROCESS FOR SYNTHESIZING A POLYPEPTIDE FLORK MICHEL 1982-09-16 WO disclosed