SCHEMBL2170963

SCHEMBL2170963

CC(NC(=O)CN1CCCC2CCCCC21)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
KLK7 P49862 2/20 0.42
IDO1 P14902 3/20 0.42
HSD11B1 P28845 1/20 0.41
S1PR1 P21453 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LTA4H P09960 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PTGER4 P35408 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL2185321 0.86 IDO1 (0.47) MEN1HPGDKMT2AKLK7IDO1
SCHEMBL13421671 0.83 KMT2A (0.50) MEN1HPGDKMT2AIDO1HSD11B1
SCHEMBL1372968 0.82 S1PR1 (0.57) MEN1HPGDKMT2AIDO1HSD11B1
SCHEMBL2170390 0.81 SMN1; SMN2 (0.56) MEN1HPGDKMT2AS1PR1ALDH1A1
SCHEMBL2173707 0.80 MEN1 (0.50) MEN1HPGDKMT2AALDH1A1LMNA
SCHEMBL2171615 0.78 ALDH1A1 (0.51) MEN1HPGDKMT2AS1PR1ALDH1A1
SCHEMBL2171842 0.78 ALDH1A1 (0.64) MEN1HPGDKMT2AALDH1A1MAPT
SCHEMBL2169800 0.78 ALDH1A1 (0.51) MEN1HPGDKMT2AS1PR1ALDH1A1
SCHEMBL2170428 0.77 ALDH1A1 (0.47) MEN1HPGDKMT2AS1PR1ALDH1A1
SCHEMBL3132407 0.77 ALDH1A1 (0.46) MEN1HPGDKMT2AALDH1A1LMNA

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
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed