SCHEMBL8895802

SCHEMBL8895802

[CH2]CC(=O)OCC(=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.45
DGKA P23743 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.41
PAM P19021 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HTR2C P28335 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
SCHEMBL50739 0.92
SCHEMBL97594 0.85 NAAA (0.65) NAAAALDH1A1TSHRHPGDATM
SCHEMBL8379402 0.83 NAAA (0.69) NAAAALDH1A1TSHRDGKAPRSS1
SCHEMBL4369312 0.83 NAAA (0.69) NAAAALDH1A1TSHRDGKAPRSS1
SCHEMBL5238461 0.83 NAAA (0.69) NAAAALDH1A1TSHRDGKAPRSS1
SCHEMBL5239460 0.83 NAAA (0.69) NAAAALDH1A1TSHRDGKAPRSS1
SCHEMBL998571 0.83 NAAA (0.69) NAAAALDH1A1TSHRDGKAPRSS1
SCHEMBL8390520 0.83 NAAA (0.69) NAAAALDH1A1TSHRDGKAPRSS1
SCHEMBL5236604 0.83 NAAA (0.69) NAAAALDH1A1TSHRDGKAPRSS1
SCHEMBL1717045 0.83 NAAA (0.69) NAAAALDH1A1TSHRDGKAPRSS1

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