SCHEMBL9011052

SCHEMBL9011052

CCCCOC(C)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PTPN11 Q06124 1/20 0.40
PLK1 P53350 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL18575525 0.87 MEN1 (0.49) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL7201886 0.85 LMNA (0.40) SLC37A4KDM4EMEN1RECQLKMT2A
SCHEMBL6889095 0.83 KDM4E (0.40) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL7019536 0.82 SLC37A4 (0.40) SLC37A4KDM4EMEN1RECQLKMT2A
SCHEMBL17797928 0.82 TSHR (0.38) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL8166371 0.82 PLA2G4B (0.39) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL10448913 0.82 ALDH1A1 (0.52) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL28968650 0.80 MEN1 (0.45) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL2470059 0.79 SLC37A4 (0.38) SLC37A4KDM4EMEN1RECQLKMT2A
SCHEMBL29022997 0.78 CYP3A4 (0.40) SLC37A4KDM4EMEN1KMT2AALDH1A1

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-0494169-B1 Process for the preparation of charged thermosetting polyurethane compositions and homogeneous and stable suspensions of the charge JAYMO S N C (FR) 1996-11-13 EP claimed
US-5238969-A PROCESS FOR THE PREPARATION OF CHARGED THERMOSETTING COMPOUNDS OF THE POLYURETHANE TYPE AND COMPOUNDS OBTAINED THEREBY OMYA S.A. (FR) 1993-08-24 US claimed