SCHEMBL21065614

SCHEMBL21065614

C=C(Sc1ccccc1)C(=O)OCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 7/20 0.50
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL20733425 0.91 TSHR (0.53) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL446580 0.87 ALDH1A1 (0.54) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL17555983 0.78 ALDH1A1 (0.49) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5099862 0.78 TSHR (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL449722 0.75 LMNA (0.50) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL4905507 0.75 LMNA (0.62) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL28364952 0.74 LMNA (0.49) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL28837354 0.73 SMN1; SMN2 (0.45) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL10690073 0.73 ELANE (0.56) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL4612201 0.73 FFAR1 (0.34) LMNAALDH1A1SMN1; SMN2MAPTHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111712523-B Ophthalmic product composition 爱尔兰眼力健公司 2023-01-03 CN disclosed
CN-115386046-A Holographic recording medium, holographic high polymer material, preparation method of holographic high polymer material and display device 华为技术有限公司 2022-11-25 CN disclosed
EP-3728339-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2020-10-28 EP disclosed
CN-111712523-A Ophthalmic product composition 默克专利股份有限公司 2020-09-25 CN disclosed
EP-3502147-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2019-06-26 EP disclosed