SCHEMBL18356147

SCHEMBL18356147

CCC(C)c1ccc(OCCC(=O)OC2CN(COC)C(=O)N(COC)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 7/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL15978740 0.90 ALDH1A1 (0.49) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL18100897 0.85 ALDH1A1 (0.46) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL10053065 0.81 NPSR1 (0.36) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL18356832 0.79 ALDH1A1 (0.51) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL18356738 0.78 ALDH1A1 (0.49) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL10053067 0.76 CYP2D6 (0.34) KMT2AALDH1A1TSHR
SCHEMBL19901949 0.75 RAB9A (0.40) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL10053077 0.74 CYP2D6 (0.33) KMT2AALDH1A1TSHR
SCHEMBL10053074 0.74 CYP2D6 (0.33) KMT2AALDH1A1TSHR
SCHEMBL19998126 0.74 NAAA (0.35) MEN1KMT2AALDH1A1TSHRNPC1

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-20170005266-A1 SEMICONDUCTOR ELEMENT AND INSULATING LAYER-FORMING COMPOSITION FUJIFILM CORPORATION (JP) 2017-01-05 US disclosed