SCHEMBL11657693

SCHEMBL11657693

C#CCCC(=O)CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL20400101 0.85 CYP1A2 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL101402 0.84
SCHEMBL12561231 0.82 TSHR (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5395125 0.81 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2593140 0.77 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21832 0.77 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1224654 0.77 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11665710 0.77 TSHR (0.41) GAAALDH1A1L3MBTL1PKMTDP1
SCHEMBL155563 0.76 GAA (0.78) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14273632 0.76 CYP1A2 (0.55) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29587-E PROSTAGLANDINS ROUSSEL UCLAF (FR) 1978-03-21 US disclosed
US-4024172-A Preparation of prostanoic acid derivatives ROUSSEL-UCLAF (FR) 1977-05-17 US disclosed