SCHEMBL28200372

SCHEMBL28200372

COOC(=O)C=Cc1ccccc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PLIN1 O60240 2/20 0.53
RECQL P46063 2/20 0.53
PLIN5 Q00G26 2/20 0.53
ABHD5 Q8WTS1 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TNKS O95271 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL320924 0.98 TDP1 (0.57) TDP1GLAMAPTALDH1A1LMNA
SCHEMBL320925 0.98 TDP1 (0.57) TDP1GLAMAPTALDH1A1LMNA
Bromide SCHEMBL28325310 0.96 TDP1 (0.55) TDP1GLAMAPTALDH1A1LMNA
SCHEMBL28551310 0.96 TDP1 (0.55) TDP1GLAMAPTALDH1A1LMNA
Acetic Acid SCHEMBL28560549 0.95 TDP1 (0.58) TDP1GLAMAPTALDH1A1LMNA
Alcohol SCHEMBL8953241 0.90 LMNA (0.51) TDP1GLAMAPTALDH1A1LMNA
Octane SCHEMBL28761136 0.87 EGFR (0.57) TDP1GLALMNAHDAC3HDAC4
SCHEMBL869266 0.86 MAPT (0.64) TDP1GLAMAPTALDH1A1LMNA
SCHEMBL869265 0.86 MAPT (0.64) TDP1GLAMAPTALDH1A1LMNA
Cyclopentanone SCHEMBL28157066 0.86 GLA (0.45) TDP1GLAMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105536638-B A kind of CO2/N2With the preparation method of light double stimuli responsive worm micelle volume 江南大学 2018-02-23 CN disclosed