SCHEMBL7545665

SCHEMBL7545665

C=C(C)C(=O)OCCOC(=O)C(C)=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.45
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 3/20 0.40
STAT1 P42224 1/20 0.40
DHODH Q02127 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
SCHEMBL3978973 0.86 AKR1C3 (0.53) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1683262 0.84 MEN1 (0.56) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A
Styrene SCHEMBL8361059 0.84 THRB (0.47) AKR1C3KMT2AMEN1ALDH1A1THRB
SCHEMBL7180698 0.84 AKR1C3 (0.55) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A
Methacrylic Acid SCHEMBL28957420 0.83 TSHR (0.51) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL28306309 0.83 THRB (0.53) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL4640667 0.83 AKR1C3 (0.53) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL2490770 0.83 AKR1C3 (0.53) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL27565774 0.82 AKR1C3 (0.56) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL2532167 0.81 KDM4E (0.53) AKR1C3KMT2AMEN1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020037984-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-03-28 US claimed
CN-116904127-B Double-sided high-temperature-resistant UV (ultraviolet) mucous membrane reducing and preparation method thereof 江苏特丽亮新材料科技有限公司 2024-06-04 CN disclosed
CN-116904127-A Double-sided high-temperature-resistant UV (ultraviolet) mucous membrane reducing and preparation method thereof 江苏特丽亮新材料科技有限公司 2023-10-20 CN disclosed