SCHEMBL7722994

SCHEMBL7722994

CC[C@H]1CC[C@H](C2CCC(c3ccc(C(F)(F)Oc4ccc(C(F)(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
PDE2A O00408 2/20 0.32
HTR2C P28335 2/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CHRNA7 P36544 1/20 0.30
IDO1 P14902 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL7722997 1.00 KDM1A (0.34) KDM1APDE2AHTR2CDGAT1SOAT1
SCHEMBL7722999 1.00 KDM1A (0.34) KDM1APDE2AHTR2CDGAT1SOAT1
SCHEMBL7735093 0.97 KDM1A (0.36) KDM1APDE2AHTR2CDGAT1SOAT1
SCHEMBL7735095 0.97 KDM1A (0.36) KDM1APDE2AHTR2CDGAT1SOAT1
SCHEMBL7730528 0.93 ALDH1A1 (0.39) KDM1APDE2AHTR2CALDH1A1LMNA
SCHEMBL7730515 0.93 ALDH1A1 (0.39) KDM1APDE2AHTR2CALDH1A1LMNA
SCHEMBL7730520 0.93 ALDH1A1 (0.39) KDM1APDE2AHTR2CALDH1A1LMNA
SCHEMBL7722924 0.91 ALDH1A1 (0.33) KDM1AALDH1A1LMNAMAPT
SCHEMBL7722929 0.91 ALDH1A1 (0.33) KDM1AALDH1A1LMNAMAPT
SCHEMBL7722931 0.91 ALDH1A1 (0.33) KDM1AALDH1A1LMNAMAPT

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed