SCHEMBL9956288

SCHEMBL9956288

O=C(Cc1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
PTPN1 P18031 1/20 0.62
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
HPGD P15428 4/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PTGER4 P35408 1/20 0.55
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
ALDH1A1 P00352 4/20 0.54
POLB P06746 4/20 0.54
MAPT P10636 3/20 0.54
GMNN O75496 2/20 0.54
MAPK1 P28482 2/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54

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
SCHEMBL30846133 0.84 PTPN1 (0.53) TDP1PTPN1MEN1KMT2AHPGD
SCHEMBL3282190 0.81 PTPN1 (0.62) TDP1PTPN1MEN1KMT2AHPGD
SCHEMBL3245846 0.81 TDP1 (0.70) TDP1MEN1KMT2AHPGDKDM4E
SCHEMBL5013873 0.81 TDP1 (0.58) TDP1PTPN1MEN1KMT2AHPGD
SCHEMBL27975181 0.81 TDP1 (0.96) TDP1MEN1KMT2AHPGDKDM4E
Naphthoic Acid SCHEMBL10948465 0.81 TDP1 (0.80) TDP1PTPN1MEN1KMT2AHPGD
SCHEMBL5857951 0.80 PTPN1 (0.71) TDP1PTPN1MEN1KMT2AHPGD
SCHEMBL7565966 0.80 TDP1 (0.74) TDP1MEN1KMT2AHPGDKDM4E
SCHEMBL30774302 0.80 TDP1 (0.74) TDP1MEN1KMT2AHPGDKDM4E
SCHEMBL29457006 0.80 PTPN1 (0.71) TDP1PTPN1MEN1KMT2AHPGD

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
WO-2016195115-A1 SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION, METHOD FOR PERFORMING ALDEHYDE COUPLING REACTION, AND METHOD FOR REGENERATING SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION SEKISUI CHEMICAL CO., LTD. (JP) 2016-12-08 WO disclosed
EP-2741731-A1 ENCAPSULATES The Procter and Gamble Company (US) 2014-06-18 EP disclosed
WO-2013022949-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2013-02-14 WO disclosed
WO-2012085864-A1 ENCAPSULATES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2012-06-28 WO disclosed