SCHEMBL7625979

SCHEMBL7625979

CC(C=CCCCCCCCCCCCCCCCCCCCCC(N)=O)CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
FAAH O00519 3/20 0.55
SOAT1 P35610 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 2/20 0.50
CNR1 P21554 1/20 0.43
CETP P11597 4/20 0.42
THRB P10828 3/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
ASAH2 Q9NR71 1/20 0.41
TSHR P16473 1/20 0.41
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 2/20 0.40
POLB P06746 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
SCHEMBL7622230 1.00 MEN1 (0.55) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL7621398 1.00 MEN1 (0.55) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL4903668 0.81 CYP1A2 (0.57) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL16244201 0.81 CYP1A2 (0.57) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL7625875 0.80 MEN1 (0.57) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL7771202 0.77 FAAH (0.58) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL7625967 0.77 FAAH (0.58) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL7620436 0.77 FAAH (0.58) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL7625854 0.77 FAAH (0.58) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL7624338 0.77 FAAH (0.58) MEN1KMT2AFAAHSOAT1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444832-B1 OSTEOPOROSIS ESSWEIN ANGELIKA (DE) 2002-09-03 US disclosed
EP-0865422-B1 USE OF AMINOALCOHOLDERIVATIVES AS DRUGS, DERIVATIVES AND PROCESS FOR THEIR PREPARATION ROCHE DIAGNOSTICS GMBH (DE) 2001-07-11 EP disclosed