SCHEMBL10871839

SCHEMBL10871839

COCCOCCC(C(=O)O)C(=O)OCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ ATM Q13315 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.38
▸ TACR1 P25103 1/20 0.38

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
SCHEMBL10868299 0.88 SLC1A3 (0.45) TDP1SLC1A3SLC1A2SLC1A1CTNNB1
SCHEMBL10870476 0.81 TDP1 (0.47) TDP1KDM4EALDH1A1SLC1A3SLC1A2
SCHEMBL8083878 0.74 SLC1A3 (0.52) TDP1KDM4EALDH1A1SLC1A3SLC1A2
SCHEMBL9226500 0.74 SLC1A3 (0.48) TDP1KDM4EALDH1A1SLC1A3SLC1A2
SCHEMBL25034482 0.73 ATM (0.57) TDP1KDM4EALDH1A1SLC1A3SLC1A2
SCHEMBL7325136 0.73 KMT2A (0.49) TDP1KDM4EALDH1A1SLC1A3SLC1A2
Acetic Acid SCHEMBL8578209 0.72 TDP1 (0.56) TDP1KDM4EALDH1A1SLC1A3SLC1A2
SCHEMBL2575317 0.71 TDP1 (0.59) TDP1KDM4ESLC1A3SLC1A2SLC1A1
SCHEMBL23645082 0.71 SLC1A3 (0.56) TDP1KDM4EALDH1A1SLC1A3SLC1A2
SCHEMBL10870041 0.71 TDP1 (0.44) TDP1KDM4EALDH1A1ATMCTNNB1

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-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 — — EP disclosed
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