SCHEMBL8897538

SCHEMBL8897538

O=C(/C=C/C=C/C(=O)NCCO)NCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.51
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CNR1 P21554 2/20 0.36
PYGL P06737 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL8894733 1.00 CNR2 (0.51) CNR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL11306763 0.89 ALDH1A1 (0.46) CNR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL679131 0.89 ALDH1A1 (0.46) CNR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL679130 0.89 ALDH1A1 (0.46) CNR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9570820 0.89 CNR2 (0.45) CNR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL17197801 0.89 CNR2 (0.50) CNR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9570817 0.89 CNR2 (0.45) CNR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL5176320 0.80
SCHEMBL3676840 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ATAAR1
SCHEMBL19696572 0.80

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-5618842-A TREATING DERMATOLOGIC, OPTHALMIC, MUCOSAL, ARTICULAR, CONNECTIVE TISSUE, NERVOUS SYSTEM, ALLERGIC, INFLAMMATORY PATHOLOGIES LIFEGROUP S.P.A. (IT) 1997-04-08 US disclosed