SCHEMBL9162907

SCHEMBL9162907

COCOc1c(C(C)(C)C)cc(C(N)=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
BPTF Q12830 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
FYN P06241 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TNFRSF1A P19438 2/20 0.37
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP10 Q53GL7 1/20 0.34
RECQL P46063 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL8903140 0.85 TNFRSF1A (0.40) TNFRSF1AEGFR
SCHEMBL4731276 0.85 ESRRA (0.38) LMNATNFRSF1AEGFRRECQLPTPN1
SCHEMBL8779698 0.84 EGFR (0.48) TSHRLMNAALDH1A1TNFRSF1AEGFR
SCHEMBL7987373 0.84 TNFRSF1A (0.37) LMNATNFRSF1AEGFRMAPK1RECQL
SCHEMBL3579165 0.81 TNFRSF1A (0.51) TSHRNCOA1NCOA3BPTFHTT
SCHEMBL4783649 0.80 VCAM1 (0.39) LMNAALDH1A1TNFRSF1AEGFRMAPK1
SCHEMBL1728858 0.79 CREBBP (0.39) LMNAFYNSMN1; SMN2TNFRSF1AEGFR
SCHEMBL8807107 0.78 ALDH1A1 (0.39) TSHRHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL4728139 0.77 EGFR (0.35) LMNAALDH1A1TNFRSF1AEGFRMAPK1
SCHEMBL9161090 0.75 DHFR (0.38) TSHRLMNAALDH1A1

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-5441984-A Antidiabetic agent ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed