SCHEMBL216782

SCHEMBL216782

NC(=O)C(O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.41
CTNNB1 P35222 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
SRC P12931 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4368354 0.82 CYP1A2 (0.47) GAALMNAMTNR1AMTNR1BCYP2C19
SCHEMBL11884465 0.80 PARP10 (0.45) PARP10KMT2AMEN1POLBCTNNB1
SCHEMBL10971334 0.78 MTNR1A (0.41) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL5214433 0.78 PARP10 (0.44) PARP10KMT2AMEN1POLBCTNNB1
SCHEMBL4580738 0.77 PARP10 (0.42) PARP10KMT2AMEN1POLBCTNNB1
SCHEMBL11514680 0.77 CES2 (0.50) KMT2AMEN1ALDH1A1LMNATP53
SCHEMBL28319983 0.77 PARP10 (0.42) PARP10KMT2AMEN1POLBCTNNB1
SCHEMBL7408531 0.77 PARP10 (0.42) PARP10KMT2AMEN1POLBCTNNB1
SCHEMBL2007632 0.77 PARP10 (0.42) PARP10KMT2AMEN1POLBCTNNB1
SCHEMBL995776 0.77 LDHA (0.52) PARP10KMT2AMEN1POLBCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575556-A4 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION. HAWAII BIOTECH GROUP (US) 1994-03-21 EP claimed
EP-0575556-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1993-12-29 EP claimed
WO-1992016203-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1992-10-01 WO claimed
EP-2753345-B1 POLYPEPTIDE VACCINE AGENCY SCIENCE TECH & RES (SG) 2016-07-13 EP disclosed
WO-2014181085-A1 TUMOUR THERAPY BAGSHAWE KENNETH DAWSON (GB) 2014-11-13 WO disclosed
US-8728470-B2 CAB molecules DANISCO US INC. (US) 2014-05-20 US disclosed
EP-1877102-B1 TAB MOLECULES DANISCO US INC (US) 2014-05-07 EP disclosed
WO-2013036201-A1 POLYPEPTIDE VACCINE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-03-14 WO disclosed
EP-2506864-A1 TREATMENT AND PREVENTION OF CANCERS ASSOCIATED WITH INTRACELLULAR ONCOPROTEINS BY ANTIBODY THERAPY OR VACCINATION Agency For Science, Technology And Research (SG) 2012-10-10 EP disclosed
US-8188240-B2 Tab molecules DANISCO US INC. (US) 2012-05-29 US disclosed
US-20120107314-A1 CAB MOLECULES DANISCO US INC. 2012-05-03 US disclosed
EP-0746336-A4 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN INC (US) 1996-07-26 EP disclosed
EP-0302473-B1 Antibody-enzyme conjugates in combination with prodrugs for the delivery of cytotoxic agents to tumor cells BRISTOL MYERS SQUIBB CO (US) 1995-02-15 EP disclosed
EP-0575556-A4 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION. HAWAII BIOTECH GROUP (US) 1994-03-21 EP disclosed
EP-0575556-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1993-12-29 EP disclosed
EP-0540859-A1 Anthracycline prodrugs Bristol-Myers Squibb Company (US) 1993-05-12 EP disclosed
WO-1993002703-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1993-02-18 WO disclosed
WO-1992016203-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1992-10-01 WO disclosed
US-4975278-A Converting the prodrug at the tumor site to the active drug by means of the conjugate bound to a tumor surface antigen BRISTOL-MYERS COMPANY (US) 1990-12-04 US disclosed
EP-0302473-A2 Antibody-enzyme conjugates in combination with prodrugs for the delivery of cytotoxic agents to tumor cells Bristol-Myers Squibb Company (US) 1989-02-08 EP disclosed