SCHEMBL4577989

SCHEMBL4577989

C=CCOc1ccc(C(=O)O)c(-c2ccc3cc(-c4cc(OCC=C)ccc4C(=O)O)ccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA9 Q16790 4/20 0.45
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MCL1 Q07820 1/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL5095993 0.88 GAA (0.47) GAATSHRLMNASMN1; SMN2MEN1
SCHEMBL9127370 0.88 ALDH2 (0.54) GAATSHRLMNASMN1; SMN2MEN1
SCHEMBL8850740 0.87 GAA (0.49) GAATSHRLMNASMN1; SMN2MEN1
SCHEMBL9446930 0.86 SMN1; SMN2 (0.54) GAATSHRLMNASMN1; SMN2MEN1
SCHEMBL9446917 0.83 SMN1; SMN2 (0.45) GAATSHRLMNASMN1; SMN2MEN1
SCHEMBL2364297 0.83 MMP2 (0.45) GAATSHRLMNASMN1; SMN2MEN1
SCHEMBL9194383 0.82 MMP2 (0.47) GAATSHRLMNASMN1; SMN2MEN1
SCHEMBL8962717 0.82 RARB (0.53) TSHRSMN1; SMN2KDM4EMCL1FFAR1
SCHEMBL9446935 0.82 GAA (0.48) GAATSHRLMNASMN1; SMN2MEN1
SCHEMBL7705110 0.81 GAA (0.41) GAATSHRLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459192-B2 Fiber pattern printing BOSTON SCIENTIFIC SCIMED, INC. (US) 2008-12-02 US claimed
US-20050113749-A1 Fiber pattern printing BOSTON SCIENTIFIC SCIMED, INC. 2005-05-26 US claimed
US-6841213-B2 Fiber pattern printing SCIMED LIFE SYSTEMS, INC (US) 2005-01-11 US claimed
US-20040126526-A1 Fiber pattern printing BOSTON SCIENTIFIC SCIMED, INC. 2004-07-01 US claimed
US-7459192-B2 Fiber pattern printing BOSTON SCIENTIFIC SCIMED, INC. (US) 2008-12-02 US disclosed
US-20050113749-A1 Fiber pattern printing BOSTON SCIENTIFIC SCIMED, INC. 2005-05-26 US disclosed
US-6841213-B2 Fiber pattern printing SCIMED LIFE SYSTEMS, INC (US) 2005-01-11 US disclosed
US-20040126526-A1 Fiber pattern printing BOSTON SCIENTIFIC SCIMED, INC. 2004-07-01 US disclosed