SCHEMBL6684404

SCHEMBL6684404

C=C(C)C(CC(=O)O)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.68
CPA3 P15088 3/20 0.68
CPB1 P15086 1/20 0.68
CPB2 Q96IY4 1/20 0.68
LTA4H P09960 2/20 0.56
CYP1A2 P05177 1/20 0.55
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
FOLH1 Q04609 2/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
MME P08473 1/20 0.47

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
SCHEMBL11248580 0.85 CPA3 (0.72) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL27341237 0.82 CYP1A2 (0.46) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL393002 0.81 CPA1 (1.00) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL5688996 0.81 CPA1 (1.00) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL1915564 0.81 CPA1 (1.00) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL3421012 0.79 CPA1 (0.96) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL29197871 0.79 CYP1A2 (0.55) CPA1CPA3CPB1CPB2CYP1A2
Alcohol SCHEMBL28211096 0.79 CPA1 (0.86) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL2685653 0.78 CPA1 (0.72) CPA1CPA3CPB1CPB2LTA4H
SCHEMBL7540835 0.78 CPA1 (0.72) CPA1CPA3CPB1CPB2LTA4H

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-0903225-B1 Light sensitive composition and image forming material KONISHIROKU PHOTO IND (JP) 2004-09-22 EP disclosed
US-6051361-A PHOTOSENSITIVE MIXTURE COMPRISING A COMPOUND CAPABLE OF GENERATING AN ACID ON EXPOSURE OF ACTINIC LIGHT, A COMPOUND CAN BE CROSSLINKING BY AN ACID, AN INFRARED ABSORBER AND AN ADDITIONAL POLYMER KONICA CORPORATION (JP) 2000-04-18 US disclosed
EP-0903225-A2 Light sensitive composition and image forming material KONICA CORPORATION (JP) 1999-03-24 EP disclosed