SCHEMBL3418207

SCHEMBL3418207

O=C(O)C[C@H](Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.55
LTA4H P09960 4/20 0.54
AR P10275 1/20 0.52
LMNA P02545 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
GPR34 Q9UPC5 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NR4A2 P43354 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL3418202 1.00 FFAR1 (0.57) FFAR1MEN1KMT2AALDH1A1RECQL
SCHEMBL3419714 0.99 FFAR1 (0.56) FFAR1MEN1KMT2AALDH1A1RECQL
SCHEMBL3419710 0.90 MEN1 (0.52) FFAR1MEN1KMT2AALDH1A1RECQL
SCHEMBL13118121 0.83 FFAR1 (0.78) FFAR1MEN1KMT2AALDH1A1RECQL
SCHEMBL29157134 0.81 CTSA (0.49) FFAR1MEN1KMT2AARLMNA
SCHEMBL4745611 0.78 MEN1 (0.52) FFAR1MEN1KMT2AALDH1A1RECQL
SCHEMBL14068553 0.78 MEN1 (0.52) FFAR1MEN1KMT2AALDH1A1RECQL
SCHEMBL14261153 0.78 LTA4H (0.52) FFAR1MEN1KMT2AALDH1A1RECQL
SCHEMBL21360704 0.78 MEN1 (0.40) FFAR1MEN1KMT2AALDH1A1RECQL
SCHEMBL27871429 0.77 SMN1; SMN2 (0.58) FFAR1ALDH1A1LTA4HNPC1RAB9A

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
WO-2010006954-A1 NOVEL N-SUBSTITUTED BETA-AMINO ACID ESTERS DSM IP ASSETS B.V. (NL) 2010-01-21 WO disclosed