SCHEMBL7976401

SCHEMBL7976401

C=C(CC(=O)OCCc1ccccc1)C(=O)OCCN1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL7978959 0.94 SMN1; SMN2 (0.48) POLBALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL7962709 0.94 KMT2A (0.44) POLBALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL7974160 0.90 ALDH1A1 (0.45) POLBALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL7976446 0.90 HTT (0.42) POLBALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL7972624 0.82 KMT2A (0.41) POLBALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL8812410 0.81 TDP1 (0.54) ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL7976398 0.81 KMT2A (0.42) POLBALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL7972625 0.81 KMT2A (0.42) POLBALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL7976498 0.81 KMT2A (0.44) POLBALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL7976395 0.81 KMT2A (0.44) POLBALDH1A1SMN1; SMN2TSHRKDM4E

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