SCHEMBL10698634

SCHEMBL10698634

CCCCOC(=O)CNCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ATM Q13315 1/20 0.44
FAAH O00519 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
DGKA P23743 1/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TSHR P16473 1/20 0.41
RAD52 P43351 1/20 0.41
LTA4H P09960 2/20 0.40
EPHX2 P34913 2/20 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
SCHEMBL11198736 0.94 NAAA (0.55) NAAAALDH1A1FAAHCA1CA2
SCHEMBL5497225 0.93 NAAA (0.58) NAAAALDH1A1FAAHHCAR2DGKA
SCHEMBL17970768 0.93 CA1 (0.46) NAAAALDH1A1ATMFAAHCA1
SCHEMBL11184933 0.93 NAAA (0.58) NAAAALDH1A1FAAHHCAR2DGKA
SCHEMBL8390838 0.92 ALDH1A1 (0.54) NAAAALDH1A1ATMFAAHHCAR2
SCHEMBL11280682 0.88 CA1 (0.45) NAAAALDH1A1CA1CA2LMNA
SCHEMBL20589905 0.86 LTA4H (0.46) ALDH1A1PPARGTSHRLTA4HEPHX2
SCHEMBL3819445 0.84 EPHX2 (0.51) ALDH1A1DGKAPPARGTSHRLTA4H
SCHEMBL21578651 0.84 ALDH1A1 (0.50) NAAAALDH1A1ATMFAAHHCAR2
SCHEMBL17970767 0.84 ALDH1A1 (0.50) NAAAALDH1A1ATMFAAHDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288256-A2 Fluorescent labels EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-10-26 EP disclosed
US-4421693-A INSECTICIDES, MITICIDES OR NEMATOCIDES OTSUKA CHEMICAL CO., LTD. (JP) 1983-12-20 US disclosed
US-4358546-A Spherical porous cross-linked copolymers of chloromethylstyrene and divinylbenzene and the derivative thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-11-09 US disclosed