SCHEMBL7200178

SCHEMBL7200178

CC(=O)OC(O)=Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46
FBP1 P09467 1/20 0.46
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKR1C1 Q04828 1/20 0.44
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NR1I2 O75469 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3248323 0.83 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL2918522 0.83 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL30937972 0.83 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL9355303 0.80 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL3881261 0.80 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL6897118 0.80 AKR1C3 (0.62) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL3619315 0.80 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL10499701 0.80 AKR1C3 (0.52) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL3910395 0.79 ALDH1A1 (0.55) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL10006253 0.79 AKR1C3 (0.50) AKR1C3ALDH1A1TSHRRECQLMEN1

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
EP-0568993-B1 Chemical amplification resist composition KYOWA HAKKO KOGYO KK (JP) 1998-08-12 EP claimed
WO-2003062283-A1 AN OLEFIN POLYMERISATION TITANIUM CATALYST RELIANCE INDUSTRIES LIMITED (IN) 2003-07-31 WO disclosed