SCHEMBL13078096

SCHEMBL13078096

O=C(O)/C=C\C(=O)NCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
HTT P42858 1/20 0.55
GAA P10253 1/20 0.55
EPHX1 P07099 4/20 0.52
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
CA9 Q16790 1/20 0.49
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.46
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42

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
SCHEMBL1060697 0.90 POLB (0.50) SMN1; SMN2NPC1HTTGAAEPHX1
SCHEMBL1060694 0.90 POLB (0.50) SMN1; SMN2NPC1HTTGAAEPHX1
SCHEMBL16054838 0.82 LMNA (0.44) SMN1; SMN2NPC1HTTGAAEPHX1
SCHEMBL16054834 0.82 LMNA (0.44) SMN1; SMN2NPC1HTTGAAEPHX1
SCHEMBL16054837 0.82 LMNA (0.44) SMN1; SMN2NPC1HTTGAAEPHX1
SCHEMBL10065266 0.82 CYP2D6 (0.53) SMN1; SMN2NPC1HTTGAACYP2D6
SCHEMBL16054840 0.82 LMNA (0.44) SMN1; SMN2NPC1HTTGAAEPHX1
SCHEMBL19974764 0.81 EPHX1 (0.52) NPC1EPHX1CYP2D6ALDH1A1CA12
SCHEMBL23543513 0.81 KMT2A (0.54) NPC1EPHX1CYP2D6ALDH1A1CA12
SCHEMBL19974830 0.79 KMT2A (0.49) NPC1EPHX1CYP2D6ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838893-B1 LINKER, ANTIBODY-DRUG CONJUGATE INCLUDING SAME, AND USE THEREOF ACAD OF MILITARY MEDICAL SCIENCES (CN) 2023-04-19 EP disclosed
EP-3838893-A1 LINKER, ANTIBODY-DRUG CONJUGATE INCLUDING SAME, AND USE THEREOF Academy of Military Medical Sciences (CN) 2021-06-23 EP disclosed
US-7829967-B2 Resin for optical-semiconductor-element encapsulation containing polyimide and optical semiconductor device obtained with the same NITTO DENKO CORPORATION (JP) 2010-11-09 US disclosed