SCHEMBL4803798

SCHEMBL4803798

O=C(O)C12CC3(C(=O)O)CC(C(=O)O)(C1)CC(C(=O)OCc1c4ccccc4cc4ccccc14)(C2)C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
GPR35 Q9HC97 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTR2A P28223 1/20 0.37
EDNRA P25101 1/20 0.35
NPC1 O15118 1/20 0.34
TACR1 P25103 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ME2 P23368 1/20 0.33

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
SCHEMBL4803794 0.94 EPHX1 (0.52) EPHX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL14277076 0.80 CYP1A2 (0.53) EPHX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL29569823 0.77 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL12630636 0.76 EPHX1 (0.43) EPHX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL14277073 0.75 EPHX1 (0.56) EPHX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL4648309 0.73 TDP1 (0.56) EPHX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3292664 0.72 EPHX1 (0.54) EPHX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL111606 0.72 EPHX1 (0.54) EPHX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL31326117 0.72 EPHX1 (0.54) EPHX1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2222008 0.72 EPHX1 (0.54) EPHX1KDM4EMEN1KMT2AALDH1A1

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
US-7368512-B2 Detection and functionalization of dendrimers UNIVERSITY OF SOUTH FLORIDA (US) 2008-05-06 US disclosed
US-20050008571-A1 Detection and functionalization of dendrimers NEWKOME GEORGE (US) 2005-01-13 US disclosed