SCHEMBL10396231

SCHEMBL10396231

[CH]=Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ACACB O00763 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KIF11 P52732 1/20 0.34
PPARG P37231 2/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2A6 P11509 1/20 0.32
RIPK1 Q13546 1/20 0.32
CYP3A4 P08684 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
PPARA Q07869 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7711579 0.81 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ACACBKDM4E
SCHEMBL26746 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ACACBKDM4E
SCHEMBL6414094 0.79 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3ACACBKDM4E
SCHEMBL387263 0.77 ALDH1A1 (0.58) KDM4EKMT2AALDH1A1CYP2A6LMNA
SCHEMBL131860 0.77 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3ACACBKDM4E
SCHEMBL2116917 0.77 PIM1 (0.46) KDM4EMEN1KMT2AKIF11CYP2D6
SCHEMBL7606991 0.76 LMNA (0.59) KDM4EMEN1KMT2APPARGALDH1A1
SCHEMBL6197968 0.75 CHRM5 (0.39) MEN1KMT2AKIF11ALDH1A1CYP1A2
SCHEMBL17404866 0.74 KDM4E (0.38) SLC6A2SLC6A4SLC6A3KDM4EMEN1
SCHEMBL14197999 0.74 KDM4E (0.38) SLC6A2SLC6A4SLC6A3ACACBKDM4E

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-4906551-A Process for the post-treatment of developed relief printing forms for use in flexographic printing HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed