SCHEMBL7976445

SCHEMBL7976445

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.43
TSHR P16473 3/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7976395 0.86 KMT2A (0.44) POLBKMT2ATSHRADRA1DADRA1A
SCHEMBL7962678 0.86 KMT2A (0.44) POLBKMT2ATSHRHTTALDH1A1
SCHEMBL7976398 0.84 KMT2A (0.42) POLBKMT2ATSHRADRA1DADRA1A
SCHEMBL7972624 0.83 KMT2A (0.41) POLBKMT2ATSHRADRA1DADRA1A
SCHEMBL7972625 0.82 KMT2A (0.42) POLBKMT2ATSHRADRA1DADRA1A
SCHEMBL8092195 0.81 SMN1; SMN2 (0.40) POLBKMT2ATSHRADRA1DADRA1A
SCHEMBL7342563 0.81 KMT2A (0.49) POLBKMT2ATSHRADRA1DADRA1A
SCHEMBL7976498 0.81 KMT2A (0.44) POLBKMT2ATSHRADRA1DADRA1A
SCHEMBL7976401 0.80 POLB (0.46) POLBKMT2ATSHRADRA1DADRA1A
SCHEMBL22621360 0.80 TSHR (0.41) POLBKMT2ATSHRADRA1DADRA1A

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