SCHEMBL8835310

SCHEMBL8835310

C=C/C=C/CCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ESR2 Q92731 2/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.32
GRM2 Q14416 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TEAD1 P28347 1/20 0.31
FAAH O00519 1/20 0.31
SLC6A4 P31645 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8835351 0.96 L3MBTL1 (0.36) L3MBTL1ESR2KDM1ARCOR1EPHX2
SCHEMBL8835191 0.93 L3MBTL1 (0.39) L3MBTL1ESR2KDM1ARCOR1EPHX2
SCHEMBL13433664 0.88 L3MBTL1 (0.37) L3MBTL1ESR2KDM1ARCOR1EPHX2
SCHEMBL8835178 0.85 KDM1A (0.39) L3MBTL1ESR2KDM1ARCOR1EPHX2
SCHEMBL8455643 0.84 KDM1A (0.31) L3MBTL1ESR2KDM1ARCOR1EPHX2
SCHEMBL8455651 0.84 KDM1A (0.31) L3MBTL1ESR2KDM1ARCOR1EPHX2
SCHEMBL8455646 0.84 KDM1A (0.31) L3MBTL1ESR2KDM1ARCOR1EPHX2
SCHEMBL8835639 0.84 HTR2C (0.42) ESR2CYP2C9GRM2ALDH1A1
SCHEMBL8835072 0.83 EPHX2 (0.33) EPHX2FFAR4
SCHEMBL8456584 0.82 KDM1A (0.33) L3MBTL1ESR2KDM1ARCOR1EPHX2

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