SCHEMBL9749117

SCHEMBL9749117

O=C(O)COC(=O)CCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 3/20 0.52
TSHR P16473 4/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
THRB P10828 1/20 0.35
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.32
USP2 O75604 1/20 0.32
TTR P02766 1/20 0.32
CYP2C9 P11712 1/20 0.32
TBXA2R P21731 1/20 0.32
MAPK1 P28482 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL94604 0.84 PAM (0.60) PAMTSHRCTHCBSTHPO
SCHEMBL11763865 0.81 PAM (0.58) PAMTSHRCTHCBSTHPO
SCHEMBL530330 0.79 PAM (0.56) PAMTSHRCTHCBSTHPO
SCHEMBL7021063 0.79
SCHEMBL1845834 0.79 PAM (0.75) PAMTSHRCTHCBSTHPO
SCHEMBL21811940 0.78 ADRA2A (0.35) TSHRMAPTTDP1ADRA2AADRA1A
SCHEMBL28658708 0.78 PAM (0.36) PAMTSHRHPGDMAPTALDH1A1
SCHEMBL11388232 0.77 PAM (0.54) PAMTSHRCTHCBSTHPO
SCHEMBL1690888 0.77 PAM (0.54) PAMTSHRCTHCBSTHPO
Ammonia Solution, Strong SCHEMBL11544660 0.77 PAM (0.54) PAMTSHRCTHCBSTHPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219852-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-02-05 EP disclosed
US-5064945-A Antitumor Agents ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-11-12 US disclosed
US-4927919-A ANTITUMOR AGENTS ISHIHARA SANGYO KAISHA, LTD. (JP) 1990-05-22 US disclosed
EP-0159708-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-12-13 EP disclosed
US-4760136-A Chartreusin derivatives and salts thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 1988-07-26 US disclosed
EP-0219852-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-04-29 EP disclosed
EP-0159708-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for produing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-10-30 EP disclosed