SCHEMBL7976398

SCHEMBL7976398

C=C(CC(=O)OCCN1CCCC1=O)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
RAB9A P51151 5/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7972625 0.95 KMT2A (0.42) KMT2AALDH1A1MAPTPOLBTSHR
SCHEMBL7972624 0.91 KMT2A (0.41) KMT2AALDH1A1MAPTPOLBTSHR
SCHEMBL7976395 0.90 KMT2A (0.44) KMT2AALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL8092195 0.89 SMN1; SMN2 (0.40) KMT2AALDH1A1MAPTPOLBTSHR
SCHEMBL22615998 0.87 TSHR (0.41) KMT2AALDH1A1MAPTPOLBTSHR
SCHEMBL22621360 0.87 TSHR (0.41) KMT2AALDH1A1MAPTPOLBTSHR
SCHEMBL22615882 0.87 TSHR (0.41) KMT2AALDH1A1MAPTPOLBTSHR
SCHEMBL7976498 0.87 KMT2A (0.44) KMT2AALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL7976445 0.84 POLB (0.47) KMT2AALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL7978943 0.83 ADRA1D (0.42) KMT2AALDH1A1POLBTSHRSMN1; SMN2

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