SCHEMBL8835580

SCHEMBL8835580

C=CC=CC1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
KDM1A O60341 2/20 0.32
PARP10 Q53GL7 1/20 0.32
ESR2 Q92731 3/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL8835578 1.00 HDAC2 (0.38) HDAC2MAP1LC3BMAOAMAOBPTGS1
SCHEMBL8835205 0.95 HDAC2 (0.35) HDAC2MAP1LC3BMAOAMAOBPTGS1
SCHEMBL8835208 0.95 HDAC2 (0.35) HDAC2MAP1LC3BMAOAMAOBPTGS1
SCHEMBL8835537 0.82 HTR2C (0.50) HDAC2MAOB
SCHEMBL8836056 0.82 HTR2A (0.33) HDAC2MAOBKDM1A
SCHEMBL8836053 0.82 HTR2A (0.33) HDAC2MAOBKDM1A
SCHEMBL8835534 0.82 HTR2C (0.50) HDAC2MAOB
SCHEMBL8836059 0.82 HTR2A (0.33) HDAC2MAOBKDM1A
SCHEMBL21338789 0.82 MAP1LC3B (0.37) HDAC2MAP1LC3BPTGS1PTGS2KDM1A
SCHEMBL8835086 0.81 HDAC2 (0.37) HDAC2MAP1LC3BMAOAMAOBPTGS1

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
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
US-5609791-A Diene derivative CHISSO CORPORATION (JP) 1997-03-11 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed
US-5449810-A Diene derivative CHISSO CORPORATION (JP) 1995-09-12 US disclosed