SCHEMBL11528893

SCHEMBL11528893

C=CC(CCC(=O)O)CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.60
NFKB1 P19838 2/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
BLM P54132 1/20 0.60
SLC6A3 Q01959 1/20 0.60
MEN1 O00255 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
TET3 O43151 1/20 0.44
FOLH1 Q04609 4/20 0.42
CYP1A2 P05177 2/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42

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
SCHEMBL7705158 0.91 TSHR (0.52) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL7702223 0.88 SLC6A2 (0.54) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL27375200 0.86 CYP2D6 (0.52) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL28226428 0.82 FFAR4 (0.53) CYP2D6BLMMEN1TSHRCYP2C19
SCHEMBL7705213 0.81 GSTK1 (0.50) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL2935706 0.81 ABCC4 (0.54) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL21628120 0.81 ABCC4 (0.54) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL6422160 0.81 ABCC4 (0.54) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL26554829 0.81 SLC6A2 (0.47) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL13291956 0.79 CYP2D6 (0.60) CYP2D6NFKB1SLC6A2SLC6A4BLM

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-4167520-A Process for preparing organotin trihalides AKZO N.V. (NL) 1979-09-11 US disclosed