SCHEMBL27465693

SCHEMBL27465693

CC(Cc1ccc2c(c1)[nH]c1ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.60
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
APAF1 O14727 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PDPK1 O15530 1/20 0.48
IMPDH2 P12268 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AHR P35869 1/20 0.43
CTSK P43235 1/20 0.43
CTSC P53634 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL15034733 0.82 KIF11 (0.67) KIF11KDM4EALDH1A1AHRGABRA1
SCHEMBL1648901 0.77 KDM4E (0.74) KIF11KDM4EALDH1A1MAPTIMPDH2
SCHEMBL10442374 0.77 KDM4E (0.53) KIF11KDM4EALDH1A1MAPTIMPDH2
SCHEMBL278610 0.76 KIF11 (1.00) KIF11KDM4EALDH1A1MAPTMEN1
Methane SCHEMBL8206725 0.76 KDM4E (0.72) KIF11KDM4EALDH1A1MAPTIMPDH2
SCHEMBL498758 0.75 PTGS2 (0.70) KIF11MAPTPDPK1IMPDH2MEN1
SCHEMBL30927850 0.75 KDM4E (0.61) KIF11KDM4EALDH1A1MEN1KMT2A
SCHEMBL30419824 0.75 KDM4E (0.61) KIF11KDM4EALDH1A1MEN1KMT2A
SCHEMBL29760781 0.75 PTGS2 (0.70) KIF11MAPTPDPK1IMPDH2MEN1
SCHEMBL12154974 0.74 SLC7A5 (0.54) KIF11KDM4EALDH1A1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138764-C Isoxazole derivatives ס����ҩ��ʽ���� 2004-02-18 CN disclosed
CN-1252794-A Isoxazole derivatives SUMITOMO PHARMA (JP) 2000-05-10 CN disclosed