SCHEMBL7429337

SCHEMBL7429337

CCCCCC=C(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.43
FAAH O00519 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
GMNN O75496 2/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 2/20 0.36
APEX1 P27695 2/20 0.36
RECQL P46063 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
TERT O14746 2/20 0.34

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
SCHEMBL7429328 1.00 EP300 (0.43) EP300FAAHCYP1A2CYP2C9CYP2C19
SCHEMBL28324880 0.98 EP300 (0.46) EP300FAAHCYP1A2CYP2C9CYP2C19
SCHEMBL9799758 0.95 EP300 (0.36) EP300CYP2C19CYP2D6
SCHEMBL9799762 0.95 EP300 (0.36) EP300CYP2C19CYP2D6
Acrylic Acid Methyl Ester SCHEMBL28055940 0.86 TSHR (0.36) EP300CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL29117775 0.85 EP300 (0.43) EP300FAAHCYP1A2CYP2C9CYP2C19
SCHEMBL28359391 0.84 EP300 (0.42) EP300FAAHCYP1A2BLMHSD17B10
SCHEMBL28835407 0.83 EP300 (0.44) EP300FAAHCYP1A2BLMHSD17B10
SCHEMBL28717969 0.83 EP300 (0.44) EP300FAAHCYP1A2BLMHSD17B10
SCHEMBL15156757 0.83 EP300 (0.44) EP300FAAHCYP1A2BLMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332955-A Preparation method of cefditoren pivoxil intermediate 深圳六合六医疗器械有限公司 2023-06-27 CN disclosed
CN-115724854-A Preparation method of cefotaxime sodium double-side chain impurity 深圳鼎邦生物科技有限公司 2023-03-03 CN disclosed
US-5939410-A AN ANTIBIOTIC COMPRISING A HYDROLYSABLE ESTERS IN VIVO HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
CN-1184110-A 1 -carba -(dethia) -cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1998-06-10 CN disclosed
EP-0809644-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-12-03 EP disclosed
WO-1997022609-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-06-26 WO disclosed
CN-1028430-C Process for preparing new derivatives of 1-dethia 2-thiacephalosporanic acids ROUSSEL UCLAF (FR) 1995-05-17 CN disclosed
CN-1028236-C Process for preparing acyl derivatives HOFFMANN LA ROCHE (CH) 1995-04-19 CN disclosed
CN-1021226-C PREPARATION FOR ACYL DERIVATIVES HOFFMANN LA ROCHE (CH) 1993-06-16 CN disclosed
CN-1036958-A The preparation method of acyl derivative HOFFMANN LA ROCHE (CH) 1989-11-08 CN disclosed
CN-87105204-A ACYL DERIVATIVES 1988-06-29 CN disclosed
CN-87107753-A New substituted cephalosporin sulfones as anti-inflammatory and antidegenerative agent 1988-06-29 CN disclosed
CN-86105905-A Process for the preparation of cephalosporin nucleus derivatives and their use in medicaments 1987-07-29 CN disclosed