SCHEMBL7974160

SCHEMBL7974160

C=C(CC(=O)OCc1ccccc1)C(=O)OCCN1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 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
SCHEMBL7976401 0.90 POLB (0.46) ALDH1A1SMN1; SMN2POLBTSHRLMNA
SCHEMBL7978959 0.89 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2POLBTSHRLMNA
SCHEMBL7962709 0.84 KMT2A (0.44) ALDH1A1SMN1; SMN2POLBTSHRLMNA
SCHEMBL7972625 0.82 KMT2A (0.42) ALDH1A1SMN1; SMN2POLBTSHRKMT2A
SCHEMBL7976498 0.81 KMT2A (0.44) ALDH1A1SMN1; SMN2POLBTSHRKDM4E
SCHEMBL7972624 0.81 KMT2A (0.41) ALDH1A1SMN1; SMN2POLBTSHRKMT2A
SCHEMBL7976446 0.80 HTT (0.42) ALDH1A1SMN1; SMN2POLBTSHRLMNA
SCHEMBL11061527 0.80 KMT2A (0.49) ALDH1A1SMN1; SMN2POLBTSHRLMNA
SCHEMBL25448081 0.80 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TSHRLMNAGAA
SCHEMBL7976398 0.79 KMT2A (0.42) ALDH1A1SMN1; SMN2POLBTSHRKMT2A

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