SCHEMBL7722964

SCHEMBL7722964

CCCC[C@H]1CC[C@H](CCC2CCC(c3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR2 P41597 3/20 0.32
ESR2 Q92731 1/20 0.32
DPP4 P27487 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CNR2 P34972 2/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
HTR2C P28335 1/20 0.30
RAB9A P51151 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
SCHEMBL7722966 1.00 MAPT (0.37) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7722962 1.00 MAPT (0.37) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7730610 0.99 MAPT (0.38) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7730615 0.99 MAPT (0.38) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7730497 0.97 MAPT (0.36) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7730492 0.97 MAPT (0.36) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7730496 0.97 MAPT (0.36) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731518 0.96 ALDH1A1 (0.36) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731529 0.96 ALDH1A1 (0.36) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL16789614 0.96 ALDH1A1 (0.36) MAPTALDH1A1LMNACYP2C9MEN1

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