SCHEMBL21976540

SCHEMBL21976540

CC(C)(CC(C)(C)C(=O)NCCCO)C(=O)NCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.38
CA14 Q9ULX7 2/20 0.37
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL17447509 0.85 PTGS1 (0.46) PTGS1KCNH2TDP1POLBALDH1A1
SCHEMBL15001317 0.83 PTGS1 (0.44) PTGS1KCNH2TDP1POLBALDH1A1
SCHEMBL2025563 0.82 POLB (0.52) PTGS1KCNH2TDP1POLBALDH1A1
SCHEMBL17447692 0.82 CNR1 (0.51) PTGS1KCNH2TDP1POLBALDH1A1
SCHEMBL19169702 0.82 CNR1 (0.44) PTGS1KCNH2TDP1POLBALDH1A1
SCHEMBL22992626 0.79 EPHX1 (0.48) CNR1EPHX1ACHE
SCHEMBL12282931 0.79 TDP1 (0.55) PTGS1KCNH2TDP1POLBALDH1A1
SCHEMBL2746553 0.78 PTGS1 (0.47) PTGS1KCNH2TDP1POLBALDH1A1
SCHEMBL14052677 0.78 PTGS1 (0.47) PTGS1KCNH2TDP1POLBALDH1A1
SCHEMBL14052382 0.78 PTGS1 (0.47) PTGS1KCNH2TDP1POLBALDH1A1

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-11518897-B2 Ink composition, method for producing the same, and image-forming method FUJIFILM CORPORATION (JP) 2022-12-06 US disclosed
US-20200140709-A1 INK COMPOSITION, METHOD FOR PRODUCING THE SAME, AND IMAGE-FORMING METHOD FUJIFILM CORPORATION (JP) 2020-05-07 US disclosed