SCHEMBL11066833

SCHEMBL11066833

CC(C)(/C=C\CCCC(=O)O)COC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GMNN O75496 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TBXA2R P21731 4/20 0.34
PPARG P37231 3/20 0.33
TOP1 P11387 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP19A1 P11511 2/20 0.33
PPARD Q03181 2/20 0.33

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
SCHEMBL11066878 1.00 USP2 (0.40) USP2CYP3A4RECQLBLMHSD17B10
SCHEMBL11062953 0.88 MEN1 (0.34) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL11062957 0.88 MEN1 (0.34) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL11078453 0.81 GMNN (0.34) USP2CYP3A4RECQLBLMHSD17B10
SCHEMBL3348695 0.79 MEN1 (0.40) KMT2AMEN1
SCHEMBL3348688 0.79 MEN1 (0.40) KMT2AMEN1
SCHEMBL23925493 0.77 KMT2A (0.52) USP2RECQLBLMHSD17B10GMNN
SCHEMBL6469034 0.77 MEN1 (0.41) KMT2AMEN1ALDH1A1TDP1
SCHEMBL31615036 0.77 KMT2A (0.52) USP2RECQLBLMHSD17B10GMNN
SCHEMBL3697846 0.77 KMT2A (0.52) USP2RECQLBLMHSD17B10GMNN

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-4434101-A SLOW REACTING SUBSTANCE OF ANAPHYLAXIS, ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1984-02-28 US disclosed