SCHEMBL7440434

SCHEMBL7440434

O=C(OOCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
MGLL Q99685 2/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
FAAH O00519 1/20 0.47
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1714950 0.86 HTR2A (0.70) HTR2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL733740 0.83 ALDH1A1 (0.44) ALDH1A1LMNACYP2C19HTTMAOB
SCHEMBL20564407 0.83 IDO1 (0.62) HTR2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6322393 0.80 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAMGLLBCL9
SCHEMBL20377184 0.80 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAMGLLBCL9
SCHEMBL8330111 0.80 MEN1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL16695904 0.80 HTR2A (0.56) HTR2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14437515 0.80 HTR2A (0.66) HTR2ARAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4644851 0.80 HTR2A (0.56) HTR2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27189134 0.80 HTR2A (0.59) HTR2ANPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216125-A Active ester used for production of acylated amino acids SANSHIN KAGAKU KOGYO CO. LTD. (JP) 1993-06-01 US disclosed
US-5117031-A ACTIVE ESTERS USED FOR PRODUCTION OF ESTERS OR AMIDES AND PROCESS FOR PRODUCING ESTERS OR AMIDES SANSHIN KAGAKU KOGYO CO. LTD. (JP) 1992-05-26 US disclosed
EP-0245662-B1 P-HYDROXYPHENYLSULFONIUM SALTS AND THEIR USE IN THE PREPARATION OF ESTERS AND AMIDES SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0331988-A1 Sulfonium compounds, as well as process for producing active esters and amides used for the production of amides SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1989-09-13 EP disclosed
US-4857656-A Active esters used for production of esters or amides and process for producing esters or amides SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1989-08-15 US disclosed
EP-0245662-A1 p-Hydroxyphenylsulfonium salts and their use in the preparation of esters and amides SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1987-11-19 EP disclosed
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed