SCHEMBL9701408

SCHEMBL9701408

O=CCC(=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.65
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 2/20 0.56
GMNN O75496 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.56
MAPK1 P28482 2/20 0.56
BLM P54132 2/20 0.56
PMP22 Q01453 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CMKLR1 Q99788 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 2/20 0.56

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
SCHEMBL30778406 0.84 ALDH1A1 (0.59) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL5137793 0.83 PTPN1 (0.62) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL29457006 0.82 PTPN1 (0.71) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL5857951 0.82 PTPN1 (0.71) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL11713079 0.80 PTPN1 (0.69) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL30375866 0.80 PTPN1 (0.69) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL1448941 0.80 PTPN1 (0.69) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL29387947 0.79 ALDH1A1 (0.63) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL818033 0.79 ALDH1A1 (0.63) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL5804173 0.78 PTPN1 (0.67) PTPN1NR4A1NR4A2NR4A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-115093323-A Beta-functionalized chiral homoallyl alcohol derivative and preparation method and application thereof 武汉大学 2022-09-23 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed