SCHEMBL8835019

SCHEMBL8835019

C=C/C=C/CCC1CCC(c2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.40
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
KDM1A O60341 1/20 0.35
DGAT1 O75907 3/20 0.34
SOAT1 P35610 2/20 0.34
SOAT2 O75908 1/20 0.34

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
SCHEMBL8834967 0.91 KDM1A (0.41) KIF11KDM1A
SCHEMBL8835613 0.90 KIF11 (0.41) KIF11CYP11B1CYP11B2KDM1ADGAT1
SCHEMBL8835369 0.89 ESR2 (0.34) CYP11B1CYP11B2DGAT1SOAT1
SCHEMBL8835490 0.88 KDM1A (0.39) KDM1A
SCHEMBL8835131 0.86 ESR2 (0.34) DGAT1SOAT1
SCHEMBL8835143 0.84 CTSK (0.36) DGAT1SOAT1
SCHEMBL8835268 0.83 HTR2C (0.42) DGAT1SOAT1
SCHEMBL8835096 0.83 ESR2 (0.37) DGAT1SOAT1
SCHEMBL8835171 0.83 DGAT1 (0.31) DGAT1SOAT1
SCHEMBL8834959 0.80 KDM1A (0.42) KIF11CYP11B1CYP11B2KDM1A

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