SCHEMBL5223978

SCHEMBL5223978

COc1ccc(-c2cc(CCC(=O)O)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 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
SCHEMBL5225376 0.86 ALOX5 (0.51) GAALMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL5227512 0.82 KMT2A (0.48) MAPTLMNAKDM4EPKMSMN1; SMN2
SCHEMBL5365533 0.80 GAA (0.51) GAAMAPTLMNAATMALDH1A1
SCHEMBL5223497 0.77 SMN1; SMN2 (0.54) GAAMAPTATMALDH1A1KDM4E
SCHEMBL5223691 0.74 ALDH1A1 (0.46) GAAMAPTLMNAALDH1A1KDM4E
SCHEMBL4130869 0.73 POLB (0.50) MAPTLMNAATMALDH1A1KDM4E
SCHEMBL6325808 0.72 MAPT (0.62) MAPTLMNAATMALDH1A1KDM4E
SCHEMBL3945526 0.71 GAA (0.53) GAAALDH1A1KDM4EHPGDALOX15
SCHEMBL1566761 0.70 FFAR1 (0.73) MAPTLMNAALDH1A1KDM4EPKM
SCHEMBL20885640 0.70 FFAR1 (0.51) GAALMNAFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed