SCHEMBL23617815

SCHEMBL23617815

C[C@H]1Cc2ccc(C(=O)O)cc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.60
TDP1 Q9NUW8 1/20 0.46
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SRD5A2 P31213 1/20 0.42
TTR P02766 1/20 0.42
PTPRC P08575 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
PTGS2 P35354 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL10908324 0.87 ACHE (0.51) ACHETDP1ALDH1A1SRD5A2TTR
SCHEMBL28135598 0.80 TDP2 (0.46) TDP1TDP2ALDH1A1SRD5A2TTR
SCHEMBL29979385 0.77 ACHE (0.66) ACHE
SCHEMBL6935266 0.77 ACHE (0.66) ACHE
SCHEMBL15016519 0.76 TDP2 (0.43) TDP1TDP2ALDH1A1SRD5A2TTR
SCHEMBL17728152 0.76 ACHE (0.59) ACHEMAPT
SCHEMBL2481939 0.75 ACHE (1.00) ACHE
SCHEMBL29893908 0.75 ACHE (1.00) ACHE
SCHEMBL8771776 0.75 RARB (0.43) TDP2
SCHEMBL15841606 0.75 TDP1 (0.40) ACHETDP1TDP2ALDH1A1SRD5A2

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
EP-2962992-B1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG CHEMICAL LTD (KR) 2021-07-07 EP disclosed