SCHEMBL9776328

SCHEMBL9776328

C=CC(c1ccccc1)C(F)(F)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ADRA2C P18825 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ADRA2A P08913 1/20 0.37
HIF1A Q16665 1/20 0.37
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC6A4 P31645 1/20 0.36
CHRM2 P08172 1/20 0.35
ADRA1A P35348 1/20 0.35
RGS12 O14924 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL10415149 0.77 HTR2A (0.36) LMNAKDM4EALDH1A1CYP3A4ALOX15
SCHEMBL9767442 0.76 CSNK1E (0.37) LMNAKDM4ERIPK1ALDH1A1HTR2A
SCHEMBL9776466 0.74 HPGD (0.40) LMNAALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL18083240 0.74 HSP90AA1 (0.37) LMNAALDH1A1TSHRCYP2C19MEN1
SCHEMBL27988263 0.73 RIPK1 (0.41) LMNAADRA2CADRA2AHIF1ARIPK1
SCHEMBL6841869 0.72 RIPK1 (0.39) LMNAKDM4ERIPK1ALDH1A1SLC6A4
SCHEMBL9767783 0.70 LMNA (0.39) LMNACYP2D6CYP2C19MEN1KMT2A
SCHEMBL23221180 0.69 KDM4E (0.56) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL8287058 0.69 KDM4E (0.56) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL3245155 0.69 KDM4E (0.56) LMNAADRA2CKDM4EADRA2AHIF1A

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-4996345-A Difluoroketones from difluoroacylsilanes PFIZER INC. (US) 1991-02-26 US disclosed