SCHEMBL8835178

SCHEMBL8835178

C=C/C=C\CC1CCC(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 2/20 0.35
ESR2 Q92731 2/20 0.33
GRM2 Q14416 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
TEAD1 P28347 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.32
CYP2C9 P11712 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL8835312 0.96 L3MBTL1 (0.40) KDM1ARCOR1L3MBTL1EPHX2GRM2
SCHEMBL8835351 0.88 L3MBTL1 (0.36) KDM1ARCOR1L3MBTL1EPHX2ESR2
SCHEMBL8835310 0.85 L3MBTL1 (0.34) KDM1ARCOR1L3MBTL1EPHX2ESR2
SCHEMBL8835191 0.85 L3MBTL1 (0.39) KDM1ARCOR1L3MBTL1EPHX2ESR2
SCHEMBL4921301 0.83 KDM1A (0.45) KDM1ARCOR1L3MBTL1EPHX2ESR2
SCHEMBL4929040 0.83 KDM1A (0.45) KDM1ARCOR1L3MBTL1EPHX2ESR2
SCHEMBL4932360 0.83 KDM1A (0.45) KDM1ARCOR1L3MBTL1EPHX2ESR2
SCHEMBL4932358 0.83 KDM1A (0.45) KDM1ARCOR1L3MBTL1EPHX2ESR2
SCHEMBL7794181 0.83 KDM1A (0.45) KDM1ARCOR1L3MBTL1EPHX2ESR2
SCHEMBL8835194 0.82 HTR2C (0.46) KDM1ARCOR1ESR2GRM2TEAD1

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 5 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
EP-0563982-A2 Polycyclic diene derivatives Chisso Corporation (JP) 1993-10-06 EP disclosed