SCHEMBL7124798

SCHEMBL7124798

CC(C)(C)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)cc(C(C)(C)c2ccccc2O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRKCZ Q05513 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 4/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
MEN1 O00255 1/20 0.32
STAT1 P42224 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
SCHEMBL27641672 0.83 ALDH1A1 (0.36) KCNMA1ALDH1A1KDM4ETSHRTDP1
SCHEMBL3680277 0.80 PPARG (0.41) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL29351747 0.80 PPARG (0.41) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL10359109 0.77 NPC1 (0.43) ALDH1A1KDM4ETSHRTDP1PRKCZ
SCHEMBL27622571 0.77 KCNMA1 (0.32) KCNMA1KDM4EKEAP1
SCHEMBL6567729 0.76 PPARG (0.36) ALDH1A1KDM4ETSHRTDP1PPARG
SCHEMBL769171 0.76 NPC1 (0.36) KCNMA1ALDH1A1KDM4ETSHRPKM
SCHEMBL29358608 0.76 NPC1 (0.36) KCNMA1ALDH1A1KDM4ETSHRPKM
SCHEMBL5616687 0.74 CYP3A4 (0.34) ALDH1A1KDM4ETSHRPKMLMNA
SCHEMBL27499823 0.74 TRPV1 (0.32) KCNMA1ALDH1A1KDM4ETSHRTDP1

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-20030139497-A1 Polyester and polyamide compositions of low residual aldehyde content CIBA SPECIALTY CHEMICALS CORP. 2003-07-24 US disclosed