SCHEMBL10575720

SCHEMBL10575720

O=C(OC1CCCCO1)C(Cc1ccccc1)C(=O)OC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.43
MGLL Q99685 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MDM2 Q00987 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
SCHEMBL10800895 0.99 SLC6A3 (0.42) SLC6A3MGLLMEN1KMT2AALDH1A1
SCHEMBL16359763 0.80 CYP1A2 (0.47) SLC6A3ALDH1A1HPGD
SCHEMBL10806153 0.79 SLC6A3 (0.52) SLC6A3MEN1KMT2AALDH1A1HPGD
SCHEMBL4812637 0.79 CYP19A1 (0.46) MGLLMEN1KMT2AALDH1A1
SCHEMBL28558138 0.79 TYR (0.46) MGLLMEN1KMT2ALMNAMDM2
SCHEMBL6487486 0.78 SRR (0.48)
SCHEMBL13311342 0.78 SRR (0.48)
SCHEMBL10807157 0.78 SLC6A3 (0.51) SLC6A3MEN1KMT2AALDH1A1HPGD
SCHEMBL3881607 0.77 SLC6A3 (0.51) SLC6A3
SCHEMBL8745836 0.75 SLC7A5 (0.46)

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
US-4870207-A Synthesis of arphamenine A Zaiden Hojin Biseibutsu Kagaku Kenkyu Kai (JP) 1989-09-26 US disclosed