SCHEMBL11051979

SCHEMBL11051979

Cc1cc[c]cc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.41
PTGS2 P35354 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SRC P12931 1/20 0.40
ALOX15 P16050 2/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
PTGS1 P23219 1/20 0.38
RXRG P48443 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTBP2 P56545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7771341 0.83 AKR1B1 (0.43) AKR1B1SRCPTGS1MAPTTSHR
SCHEMBL6762399 0.80 AKR1B1 (0.55) AKR1B1MAPTHPGDTSHRTDP1
SCHEMBL2442291 0.78 HSD17B10 (0.54) AKR1B1SMN1; SMN2PTGS1MAPTTSHR
SCHEMBL9580151 0.78 AKR1B1 (0.52) AKR1B1MAPTHPGDTSHRTDP1
SCHEMBL458360 0.76
Water SCHEMBL30372687 0.75 CTBP2 (0.59) AKR1B1PTGS2PTGS1MAPTHPGD
SCHEMBL6713227 0.74 AKR1B1 (0.39) AKR1B1PTGS2SMN1; SMN2ALOX15PTGS1
SCHEMBL22344551 0.74 AKR1B1 (0.42) AKR1B1PTGS2PTGS1TDP1
SCHEMBL1441910 0.74 AKR1B1 (0.39) AKR1B1PTGS2SRCPTGS1MAPT
SCHEMBL22344588 0.74 CXCL8 (0.41) AKR1B1PTGS2SRCRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482655-A SUBSTITUTED SUCCINIC ANHYDRIDE COUPLER MILLIKEN RESEARCH CORPORATION (US) 1984-11-13 US disclosed
US-4328041-A TREATED WITH SUBSTITUTED SUCCINIC ANHYDRIDE MILLIKEN RESEARCH CORPORATION (US) 1982-05-04 US disclosed
US-4122062-A FILLERS KENRICH PETROCHEMICALS, INC. (US) 1978-10-24 US disclosed
US-4098758-A ORGANIC ACIDS, FOR USE IN POLYMER SYSTEMS KENRICH PETROCHEMICALS, INC. (US) 1978-07-04 US disclosed
US-4096110-A Filled polyesters containing organic titanate esters KENRICH PETROCHEMICALS, INC. (US) 1978-06-20 US disclosed
US-4094853-A Alkoxy titanate salts useful as coupling agents KENRICH PETROCHEMICALS, INC. (US) 1978-06-13 US disclosed
US-4087402-A USED FOR TREATMENT OF INORGANIC FILLERS KENRICH PETROCHEMICALS, INC. (US) 1978-05-02 US disclosed