SCHEMBL27812005

SCHEMBL27812005

C/C(=C/C(=O)OCCO)C(=O)OCCO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.33
ACHE P22303 1/20 0.32
HPGD P15428 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL11809471 1.00 TSHR (0.48) TSHRMEN1KMT2ANPSR1ATM
SCHEMBL28121411 0.88 ATM (0.39) TSHRMEN1KMT2ANPSR1ATM
SCHEMBL27524196 0.83 TSHR (0.39) TSHRMEN1KMT2AATMACHE
SCHEMBL11809477 0.83 TSHR (0.39) TSHRMEN1KMT2AATMACHE
SCHEMBL20530243 0.83 HCAR2 (0.48) TSHRMEN1KMT2ANPSR1ATM
SCHEMBL11809485 0.83 TSHR (0.39) TSHRMEN1KMT2AATMACHE
SCHEMBL29374091 0.83 HCAR2 (0.48) TSHRMEN1KMT2ANPSR1ATM
SCHEMBL27660489 0.82 TSHR (0.58) TSHRMEN1KMT2ANPSR1HPGD
SCHEMBL27608684 0.82 TSHR (0.53) TSHRMEN1KMT2AHPGDTHRB
SCHEMBL2113072 0.82 MEN1 (0.38) TSHRMEN1KMT2ANPSR1ATM

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
CN-101835610-B Negative-working imageable elements and methods of use EASTMAN KODAK CO. (US) 2011-12-14 CN disclosed
CN-101835610-A Negative-working imageable elements and methods of use EASTMAN KODAK CO 2010-09-15 CN disclosed