SCHEMBL9013877

SCHEMBL9013877

C=CC[C@H]1CC[C@H](CCCCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ESR2 Q92731 3/20 0.36
EPHX2 P34913 3/20 0.35
LSS P48449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GRM2 Q14416 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
FAAH O00519 1/20 0.32
CYP2C9 P11712 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM4 P08173 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
SCHEMBL9013875 1.00 KDM1A (0.39) KDM1ARCOR1L3MBTL1ESR2EPHX2
SCHEMBL2855964 0.86 KDM1A (0.36) KDM1ARCOR1L3MBTL1ESR2EPHX2
SCHEMBL8767550 0.85 ESR2 (0.43) KDM1ARCOR1L3MBTL1ESR2EPHX2
SCHEMBL8767539 0.85 ESR2 (0.43) KDM1ARCOR1L3MBTL1ESR2EPHX2
SCHEMBL2853806 0.84 L3MBTL1 (0.37) KDM1ARCOR1L3MBTL1EPHX2KDM4E
SCHEMBL2852845 0.84 KDM1A (0.39) KDM1ARCOR1L3MBTL1EPHX2KDM4E
SCHEMBL8768434 0.83 ESR2 (0.42) KDM1ARCOR1L3MBTL1ESR2EPHX2
SCHEMBL8768425 0.83 ESR2 (0.42) KDM1ARCOR1L3MBTL1ESR2EPHX2
SCHEMBL2854636 0.83 L3MBTL1 (0.36) KDM1ARCOR1L3MBTL1EPHX2KDM4E
SCHEMBL5343315 0.82 KDM1A (0.44) KDM1ARCOR1L3MBTL1ESR2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 EP claimed