SCHEMBL6653640

SCHEMBL6653640

CCCC(=O)Nc1cc[c]cc1N[C@H](C)C(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 3/20 0.36
GLA P06280 1/20 0.36
BRPF1 P55201 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TDP2 O95551 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL2896689 0.77 POLB (0.56) MAPK1ALDH1A1LMNAMEN1THRA
SCHEMBL2900768 0.72 LMNA (0.49) MAPK1ALDH1A1LMNAPOLBGAA
SCHEMBL6656251 0.69 MAPK1 (0.33) MAPK1ALDH1A1MEN1KMT2APOLB
SCHEMBL6654131 0.69
SCHEMBL292949 0.69 MAPK1 (0.51) MAPK1ALDH1A1LMNAMEN1THRA
SCHEMBL145468 0.67 TP53 (0.67) ALDH1A1LMNAMEN1THRBKMT2A
SCHEMBL6656212 0.67 HCAR3 (0.41) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL28316734 0.67 TSHR (0.49) ALDH1A1POLBGAAHTTKDM4E
SCHEMBL6313462 0.66 CYP2C19 (0.45) ALDH1A1POLBKDM4EHPGDSMN1; SMN2
SCHEMBL1452105 0.66 MDM4 (0.49) ALDH1A1LMNAMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430019-A1 SPHINGOLIPIDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-06-23 EP disclosed
WO-2003027058-A1 SPHINGOLIPIDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-04-03 WO disclosed
WO-2001079152-A1 SPHINGOLIPIDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-10-25 WO disclosed