SCHEMBL28048047

SCHEMBL28048047

C/C=C(\C)C(=O)OC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PLIN1 O60240 2/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 2/20 0.42
PLIN5 Q00G26 2/20 0.42
ABHD5 Q8WTS1 2/20 0.42
TNKS O95271 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL238871 1.00 GLA (0.48) GLATDP1AKR1C3ALDH1A1MAPT
SCHEMBL6425118 0.88 AKR1C3 (0.56) GLATDP1AKR1C3ALDH1A1MAPT
SCHEMBL25215190 0.85 GLA (0.52) GLATDP1AKR1C3ALDH1A1MAPT
SCHEMBL23902289 0.85 GLA (0.52) GLATDP1AKR1C3ALDH1A1MAPT
SCHEMBL3868471 0.85 HDAC1 (0.52) GLATDP1ALDH1A1MAPTHDAC3
SCHEMBL3868467 0.85 HDAC1 (0.52) GLATDP1ALDH1A1MAPTHDAC3
SCHEMBL7197184 0.83 GLA (0.43) GLATDP1AKR1C3ALDH1A1MAPT
SCHEMBL188344 0.82 GLA (0.48) GLATDP1AKR1C3ALDH1A1MAPT
SCHEMBL194943 0.82 GLA (0.48) GLATDP1AKR1C3ALDH1A1MAPT
SCHEMBL16196747 0.81 GLA (0.41) GLATDP1AKR1C3ALDH1A1MAPT

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
CN-105175613-B Polystyrene 2-methyl crotonate and preparation method and application thereof 中国石油天然气股份有限公司 2017-11-10 CN disclosed
CN-105175613-A Polystyrene 2-methyl crotonate and preparation method and application thereof PETROCHINA CO LTD 2015-12-23 CN disclosed