SCHEMBL11398917

SCHEMBL11398917

CC(C)(CCl)C(=O)C(Br)Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.32
NR1I2 O75469 1/20 0.32
PPOX P50336 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
FKBP1A P62942 1/20 0.31
MAPK1 P28482 2/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
GAA P10253 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
SCHEMBL11845929 0.84 LMNA (0.39) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11536701 0.83 TSHR (0.37) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11282098 0.81 TSHR (0.37) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11385721 0.79 S1PR3 (0.39) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL11389688 0.78 TSHR (0.51) LMNATSHRTDP1MEN1KMT2A
SCHEMBL11385634 0.75 HPGD (0.40) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11390990 0.75 HPGD (0.36) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11292911 0.75 PPARA (0.41) TSHRMEN1KMT2ACYP2C19GAA
SCHEMBL11391260 0.74 OGG1 (0.45) L3MBTL1KMT2A
SCHEMBL11214408 0.73 MTNR1A (0.39) L3MBTL1MEN1KMT2ACYP2C19GAA

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-4255434-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed