SCHEMBL8455643

SCHEMBL8455643

N#C/C=C/C=C/CCC1CCC([C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
EPHX2 P34913 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP2C9 P11712 1/20 0.30
F2R P25116 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
SCHEMBL8455651 1.00 KDM1A (0.31) KDM1ARCOR1EPHX2ESR2MEN1
SCHEMBL8455646 1.00 KDM1A (0.31) KDM1ARCOR1EPHX2ESR2MEN1
SCHEMBL8456300 0.97 KDM1A (0.33) KDM1ARCOR1EPHX2ESR2MEN1
SCHEMBL8456294 0.97 KDM1A (0.33) KDM1ARCOR1EPHX2ESR2MEN1
SCHEMBL8456292 0.97 KDM1A (0.33) KDM1ARCOR1EPHX2ESR2MEN1
SCHEMBL8449547 0.96 KDM1A (0.32) KDM1ARCOR1EPHX2ESR2L3MBTL1
SCHEMBL8449550 0.96 KDM1A (0.32) KDM1ARCOR1EPHX2ESR2L3MBTL1
SCHEMBL8449556 0.96 KDM1A (0.32) KDM1ARCOR1EPHX2ESR2L3MBTL1
SCHEMBL8449767 0.94 KDM1A (0.31) KDM1ARCOR1EPHX2ESR2L3MBTL1
SCHEMBL8449766 0.94 KDM1A (0.31) KDM1ARCOR1EPHX2ESR2L3MBTL1

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
US-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 US disclosed