SCHEMBL7499861

SCHEMBL7499861

O=C(O)CCCC(=O)c1ccccc1-c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44

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
SCHEMBL28022707 0.84 HCAR2 (0.52) HTTFFAR1FFAR4TUBB4ATUBB
SCHEMBL27966450 0.81 TUBB4A (0.50) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10806667 0.80 MAPT (0.43) FFAR1FFAR4MAPTPPARGHDAC3
SCHEMBL269851 0.80 HTT (0.59) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397801 0.80 HTT (0.59) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7512928 0.79 HDAC3 (0.47) HTTFFAR4PTGER1PTGER4PTGER3
SCHEMBL7503219 0.78 HDAC3 (0.45) HTTFFAR4MAPTHDAC3HDAC4
SCHEMBL18896859 0.77 TUBB4A (0.42) HTTFFAR1TUBB4ATUBBTUBA3C
SCHEMBL7506003 0.77 HDAC3 (0.47) MAPTFAAHHDAC3HDAC4HDAC1
SCHEMBL10790803 0.76 SMN1; SMN2 (0.56) FFAR1PTGER1PTGER4PTGER3PTGER2

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-0721942-B1 TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 2002-06-05 EP disclosed
US-5646283-A IMMUNOSUPPRESSANTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-08 US disclosed
EP-0721942-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-07-17 EP disclosed