SCHEMBL21372579

SCHEMBL21372579

O=C(OCc1cccc2ccccc12)OCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
EPHX1 P07099 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PARP10 Q53GL7 1/20 0.54
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
ATM Q13315 1/20 0.51
ACP3 P15309 1/20 0.50
FFAR1 O14842 1/20 0.50
AKR1B1 P15121 1/20 0.50
CYP1A2 P05177 2/20 0.49
CDYL Q9Y232 1/20 0.48
MTNR1A P48039 1/20 0.47
CTNNB1 P35222 1/20 0.47
PPARG P37231 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL25034482 0.90 ATM (0.57) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL28702056 0.89 TDP1 (0.56) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL2575314 0.87 EPHX1 (0.55) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL2575317 0.87 TDP1 (0.59) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL5077569 0.85 EPHX1 (0.54) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL487420 0.85 KMT2A (0.55) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL1998524 0.85 EPHX1 (0.54) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL5933380 0.85 EPHX1 (0.54) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL1998527 0.85 MEN1 (0.59) TDP1EPHX1MEN1KMT2APARP10
SCHEMBL5933367 0.85 EPHX1 (0.54) TDP1EPHX1MEN1KMT2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109937197-B Electrochemical process for preparing aryl alkyl carbonates and diaryl carbonates 科思创德国股份有限公司 2022-05-03 CN disclosed
CN-113968823-A Alkenyl substituted 2, 5-piperazinediones and their use in compositions for delivering an agent to a subject or cell 麻省理工学院 2022-01-25 CN disclosed
CN-107848988-B Alkenyl substituted 2, 5-piperazinediones and their use in compositions for delivering an agent to a subject or cell 麻省理工学院 2021-10-22 CN disclosed
EP-3541778-A1 ELECTROCHEMICAL METHOD FOR PRODUCING ARYL ALKYL CARBONATES AND DIARYL CARBONATES Covestro Deutschland AG (DE) 2019-09-25 EP disclosed