SCHEMBL20119271

SCHEMBL20119271

CCOC(=O)C(CCc1ccc(C)cc1)(C(=O)OCC)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
FBP1 P09467 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL903609 0.87 PPARG (0.46) LMNAKCNH2ALDH1A1KDM4E
SCHEMBL20118857 0.76 MEN1 (0.43) LMNAMEN1KMT2ACYP4F2CYP4A11
SCHEMBL3083944 0.74 KCNH2 (0.52) LMNAMAPTKMT2AKCNJ1KCNH2
SCHEMBL27435752 0.74 ALDH1A1 (0.54) LMNAMAPTTHRBNPSR1FBP1
SCHEMBL31001663 0.72 CYP4F2 (0.51) THRBMEN1KMT2ACYP4F2CYP4A11
SCHEMBL1687901 0.71 TSHR (0.40) LMNAHTTMAPTMEN1KMT2A
SCHEMBL15199327 0.69 ALDH1A1 (0.56) LMNAHTTMAPTTHRBMEN1
SCHEMBL11279345 0.69 PTPRC (0.45) LMNATHRBCYP1A2TAAR1ALDH1A1
SCHEMBL11272896 0.69 SMN1; SMN2 (0.40) LMNANPSR1MEN1KMT2ACYP4F2
SCHEMBL14510426 0.69 ALDH1A1 (0.42) MAPTTHRBNPSR1FBP1CYP1A2

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
EP-2621886-B1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2018-05-02 EP disclosed