SCHEMBL6930239

SCHEMBL6930239

CC(=Cc1ccc(CO)cc1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
AKR1C3 P42330 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC2 Q92769 1/20 0.40
TBXAS1 P24557 4/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL5830531 0.86 AKR1C3 (0.52) AKR1C3ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5830527 0.86 AKR1C3 (0.52) AKR1C3ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL13879299 0.85 AKR1C3 (0.44) NOS3NOS1AKR1C3HDAC8HDAC2
SCHEMBL1410819 0.83 AKR1C3 (0.62) AKR1C3HDAC8HDAC2TBXAS1ALDH1A1
SCHEMBL1410816 0.83 AKR1C3 (0.62) AKR1C3HDAC8HDAC2TBXAS1ALDH1A1
SCHEMBL29158024 0.81 TBXAS1 (0.56) AKR1C3TBXAS1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL554423 0.79 AKR1C3 (0.45) AKR1C3ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL9065444 0.79 AKR1C3 (0.45) NOS3NOS1AKR1C3ALDH1A1SMN1; SMN2
SCHEMBL9065442 0.79 AKR1C3 (0.45) NOS3NOS1AKR1C3ALDH1A1SMN1; SMN2
SCHEMBL956428 0.79 ALDH1A1 (0.59) AKR1C3ALDH1A1KDM4ECA1CA2

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
EP-0911153-B1 Image forming method KONISHIROKU PHOTO IND (JP) 2003-12-10 EP disclosed
US-6174646-B1 IMAGEWISE HEATING OR EXPOSING IMAGE FORMING MATERIAL TO LASER WHEREIN IMAGE FORMING MATERIAL COMPRISES SUPPORT HAVING RADIATION SENSITIVE LAYER CONTAINING DYE, AN ACID GENERATING COMPOUND CAPABLE OF GENERATING ACID ON IRRADIATION KONICA CORPORATION (JP) 2001-01-16 US disclosed
EP-0911153-A1 Image forming method KONICA CORPORATION (JP) 1999-04-28 EP disclosed