SCHEMBL7976446

SCHEMBL7976446

C=C(CC(=O)OCCc1ccccc1)C(=O)OCN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7976401 0.90 POLB (0.46) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL7962709 0.89 KMT2A (0.44) LMNAALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL7978959 0.84 SMN1; SMN2 (0.48) LMNAALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL7974160 0.80 ALDH1A1 (0.45) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL8812410 0.79 TDP1 (0.54) LMNAALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL7978944 0.79 KMT2A (0.40) HTTALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL7978942 0.76 KMT2A (0.40) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL7962678 0.76 KMT2A (0.44) HTTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL15122553 0.74 MEN1 (0.49) ALDH1A1SMN1; SMN2GAATSHRTDP1
SCHEMBL7974068 0.73 TDP1 (0.56) LMNAALDH1A1SMN1; SMN2L3MBTL1TSHR

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
US-6268511-B1 USED FOR PRODUCING COPOLYMER WITH ACRYLIC ESTER COMONOMERS; COPOLYMERS ARE USED FOR FOLDABLE INTRAOCULAR LENSES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-07-31 US disclosed
EP-0987247-A1 ITACONATE DERIVATIVES USED FOR A COMPONENT OF A POLYMER SANTEN PHARMACEUTICAL CO., LTD. (JP) 2000-03-22 EP disclosed