SCHEMBL6458952

SCHEMBL6458952

CCC(CC)(C(=O)O)C(=O)OCO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
PRKCA P17252 1/20 0.31

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
SCHEMBL3687714 0.88 CYP4F2 (0.41) CYP4F2CYP4A11MEN1KMT2ATSHR
SCHEMBL456197 0.84 MEN1 (0.48) CYP4F2CYP4A11MEN1KMT2ATSHR
SCHEMBL27889242 0.82 MEN1 (0.47) CYP4F2CYP4A11MEN1KMT2ATSHR
SCHEMBL8306724 0.82 MEN1 (0.47) CYP4F2CYP4A11MEN1KMT2ATSHR
SCHEMBL30440649 0.82 MEN1 (0.47) CYP4F2CYP4A11MEN1KMT2ATSHR
SCHEMBL452622 0.80 HCAR2 (0.41) CYP4F2CYP4A11MEN1KMT2ATSHR
SCHEMBL371476 0.78 CYP4F2 (0.47) CYP4F2CYP4A11MEN1KMT2ATSHR
SCHEMBL221073 0.78 PTPN1 (0.40) MEN1KMT2ATSHRALDH1A1CYP1A2
SCHEMBL1748129 0.77 TSHR (0.36) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL9065316 0.77 MEN1 (0.32) MEN1KMT2ATSHR

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
US-20130053469-A1 INK-JET PRINTER INK DURST PHOTOTECHNIK DIGITAL TECHNOLOGY GMBH (AT) 2013-02-28 US disclosed
EP-1421122-A4 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO (KR) 2005-05-04 EP disclosed
EP-1287043-A4 A METHOD FOR PRODUCING ETHYLENE HOMO- AND CO-POLYMER SAMSUNG GENERAL CHEMICALS CO (KR) 2004-08-25 EP disclosed
EP-1421122-A1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE Samsung General Chemicals Co., Ltd. (KR) 2004-05-26 EP disclosed
EP-1287043-A1 A METHOD FOR PRODUCING ETHYLENE HOMO- AND CO-POLYMER Samsung General Chemicals Co., Ltd. (KR) 2003-03-05 EP disclosed
WO-2003000747-A1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2003-01-03 WO disclosed
WO-2001092345-A1 A METHOD FOR PRODUCING ETHYLENE HOMO- AND CO-POLYMER SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2001-12-06 WO disclosed