SCHEMBL7469320

SCHEMBL7469320

O=C(O)C(CO)NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.54
MME P08473 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX1 P07099 1/20 0.46
PLAAT5 Q96KN8 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45

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
SCHEMBL8609013 1.00 GGT1 (0.54) GGT1MMEKMT2AMEN1TSHR
SCHEMBL7469306 1.00 GGT1 (0.54) GGT1MMEKMT2AMEN1TSHR
SCHEMBL27507226 0.90 GGT1 (0.67) GGT1KMT2ASIGMAR1CYP2D6CYP2C9
SCHEMBL4560841 0.90 GGT1 (0.67) GGT1KMT2ASIGMAR1CYP2D6CYP2C9
SCHEMBL27507225 0.90 GGT1 (0.67) GGT1KMT2ASIGMAR1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4561906 0.88 GGT1 (0.65) GGT1KMT2AMEN1SIGMAR1CYP2D6
SCHEMBL7466897 0.86 CYP3A4 (0.45) GGT1KMT2ATSHRSIGMAR1CA12
SCHEMBL7466905 0.86 CYP3A4 (0.45) GGT1KMT2ATSHRSIGMAR1CA12
SCHEMBL8054827 0.86 CYP3A4 (0.45) GGT1KMT2ATSHRSIGMAR1CA12
SCHEMBL27699635 0.86 MME (0.56) GGT1MMEKMT2ASIGMAR1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101863886-A Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL MYERS SQUIBB CO 2010-10-20 CN disclosed
EP-0764648-B1 Cephem derivatives and process for the preparation thereof EISAI CO LTD (JP) 2002-01-16 EP disclosed
US-5824663-A MALODOR FORMING ENZYME ACTS ON A SERINE ETHER TO RELEASE ODORLESS COMPOUND OR COMPOUND WITH PLEASANT ODOR RATHER THAN ACTING ON APOCRINE SECRETIONS TO PRODUCE MALODOR THE GILLETTE COMPANY (US) 1998-10-20 US disclosed
EP-0333154-B1 Process for the preparation of cephem derivatives EISAI CO LTD (JP) 1997-07-16 EP disclosed
EP-0764648-A1 Cephem derivatives and process for the preparation thereof Eisai Co., Ltd. (JP) 1997-03-26 EP disclosed
CN-1126988-A Difluoro statone analogs MERRELL DOW PHARMA (US) 1996-07-17 CN disclosed
US-5514671-A SERINE ALKYL, CYCLOHEXYL OR AROMATIC ETHERS IN VEHICLE; SUPPRESSING BODY ODOR BY APPLYING TO SKIN THE GILLETTE COMPANY 1996-05-07 US disclosed
EP-0612751-A2 Compounds for the preparation of cephem derivatives Eisai Co., Ltd. (JP) 1994-08-31 EP disclosed
EP-0521871-A4 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS 1993-03-10 EP disclosed
EP-0521871-A1 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS THE GILLETTE COMPANY (US) 1993-01-13 EP disclosed
US-5128465-A Containing thiadiazole ring and fluorine substitution EISAI CO., LTD. (JP) 1992-07-07 US disclosed
WO-1991011988-A1 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS THE GILLETTE COMPANY (US) 1991-08-22 WO disclosed
EP-0333154-A2 Process for the preparation of cephem derivatives and intermediates therefor Eisai Co., Ltd. (JP) 1989-09-20 EP disclosed
US-3975365-A Inhibitory octapeptides angiotensin II G. D. SEARLE & CO. (US) 1976-08-17 US disclosed