SCHEMBL8835191

SCHEMBL8835191

C=C/C=C/CCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MMP12 P39900 4/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
P2RY14 Q15391 1/20 0.35
GRM2 Q14416 1/20 0.34
KDM1A O60341 2/20 0.33
ESR2 Q92731 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN5A Q14524 3/20 0.33
EPHX2 P34913 1/20 0.33
CYP2C9 P11712 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
MAOB P27338 1/20 0.32
GRIN2B Q13224 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
SCHEMBL8835351 0.96 L3MBTL1 (0.36) L3MBTL1GRM2KDM1AESR2RCOR1
SCHEMBL8835310 0.93 L3MBTL1 (0.34) L3MBTL1GRM2KDM1AESR2RCOR1
SCHEMBL8835312 0.89 L3MBTL1 (0.40) L3MBTL1MMP12CHRM2CHRM1P2RY14
SCHEMBL8835171 0.85 DGAT1 (0.31) CHRM2CHRM1ESR2CHRM5CHRM3
SCHEMBL8835178 0.85 KDM1A (0.39) L3MBTL1GRM2KDM1AESR2RCOR1
SCHEMBL8835143 0.85 CTSK (0.36) CHRM2CHRM1GRM2EPHX2CHRM5
SCHEMBL8835268 0.84 HTR2C (0.42) CHRM2CHRM1P2RY14GRM2ESR2
SCHEMBL8835096 0.84 ESR2 (0.37) ESR2CYP2C9
SCHEMBL8835121 0.81 CYP2C9 (0.39) ESR2CYP2C9
SCHEMBL6141770 0.81 L3MBTL1 (0.38) L3MBTL1MMP12CHRM2CHRM1P2RY14

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