SCHEMBL8387100

SCHEMBL8387100

C=CC(=O)OCCCCCC(OC(=O)C=C)Oc1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
THRB P10828 1/20 0.40
KDM4E B2RXH2 9/20 0.38
HTT P42858 3/20 0.38
USP2 O75604 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HPGD P15428 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
SCHEMBL9450840 0.86 THRB (0.44) ALDH1A1KMT2AGAATHRBKDM4E
SCHEMBL23581944 0.82 KDM4E (0.39) ALDH1A1KMT2AGAATHRBKDM4E
SCHEMBL27037040 0.82 KMT2A (0.58) ALDH1A1TSHRCYP3A4KMT2AGAA
SCHEMBL27463502 0.82 KMT2A (0.58) ALDH1A1TSHRCYP3A4KMT2AGAA
SCHEMBL27352690 0.82 KMT2A (0.58) ALDH1A1TSHRCYP3A4KMT2AGAA
SCHEMBL1947089 0.82 KMT2A (0.58) ALDH1A1TSHRCYP3A4KMT2AGAA
SCHEMBL29315438 0.82 KMT2A (0.58) ALDH1A1TSHRCYP3A4KMT2AGAA
SCHEMBL17723354 0.81 KMT2A (0.60) ALDH1A1TSHRCYP3A4KMT2AGAA
SCHEMBL23581926 0.80 HTT (0.43) ALDH1A1KMT2AGAATHRBKDM4E
SCHEMBL29315453 0.79 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed