SCHEMBL8895799

SCHEMBL8895799

C[CH]C(=O)OCC(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 3/20 0.47
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 2/20 0.47
DGKA P23743 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAD52 P43351 1/20 0.41
FAAH O00519 1/20 0.40
HTR2C P28335 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL6515532 0.86 ATM (0.73) ATMTSHRHPGDHCAR2NAAA
SCHEMBL127601 0.86
SCHEMBL6521019 0.85 ATM (0.77) ATMTSHRHPGDHCAR2NAAA
SCHEMBL1656040 0.83 TSHR (0.75) ATMTSHRHPGDHCAR2NAAA
SCHEMBL10713334 0.83 ATM (0.74) ATMTSHRHPGDHCAR2NAAA
SCHEMBL6522727 0.80 ATM (0.63) ATMTSHRHPGDHCAR2NAAA
SCHEMBL3185929 0.79 ALDH1A1 (0.54) ATMTSHRHPGDHCAR2NAAA
SCHEMBL4673333 0.79 GAA (0.48) TSHRHPGDHCAR2ALDH1A1NPSR1
SCHEMBL698457 0.79 HCAR2 (0.62) ATMTSHRHPGDHCAR2NAAA
SCHEMBL6519385 0.79 HCAR2 (0.66) ATMTSHRHCAR2NAAADGKA

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed