SCHEMBL28062064

SCHEMBL28062064

Cc1ccccc1OC(=O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
AKR1C3 P42330 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
KEAP1 Q14145 1/20 0.48
FFAR1 O14842 1/20 0.48
ABCB1 P08183 1/20 0.48
P2RX7 Q99572 1/20 0.48
RECQL P46063 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
SCHEMBL29941922 0.86 TDP1 (0.58) TDP1KMT2AL3MBTL1ATMKDM4E
SCHEMBL644115 0.86 TDP1 (0.58) TDP1KMT2AL3MBTL1ATMKDM4E
SCHEMBL28283295 0.83 AKR1C3 (0.64) TDP1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11527185 0.83 SMN1; SMN2 (0.71) TDP1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL2639771 0.83 L3MBTL1 (0.74) TDP1KMT2AL3MBTL1ATMALDH1A1
SCHEMBL2996036 0.83 ATM (0.53) TDP1KMT2AL3MBTL1ATMKDM4E
SCHEMBL9468274 0.82 TDP1 (0.55) TDP1KMT2AL3MBTL1ATMKDM4E
SCHEMBL9175449 0.82 TDP1 (0.54) TDP1KMT2AALDH1A1KDM4EAKR1C3
SCHEMBL28994753 0.81 TDP1 (0.62) TDP1KMT2AALDH1A1MAPTAKR1C3
SCHEMBL3079343 0.81 TDP1 (0.54) TDP1KMT2AL3MBTL1ATMKDM4E

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
CN-105431510-A Organic compounds GIVAUDAN SA 2016-03-23 CN disclosed