SCHEMBL22138552

SCHEMBL22138552

CCCC(CCC)C(CN)CN

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL5473438 0.82 METAP1 (0.41) METAP1TDP1DNM1LMNATSHR
SCHEMBL22400117 0.81 ALDH1A1 (0.40) METAP1ALDH1A1TDP1LMNA
SCHEMBL5932767 0.81
SCHEMBL13164212 0.79 METAP1 (0.38) METAP1ALDH1A1TDP1TSHR
SCHEMBL20309928 0.79
SCHEMBL7558680 0.79 METAP1 (0.34) METAP1ALDH1A1TDP1TSHR
SCHEMBL7766590 0.79 OPRM1 (0.42) ALDH1A1TDP1DNM1LMNATSHR
SCHEMBL7765631 0.78 METAP1 (0.37) METAP1ALDH1A1TDP1
SCHEMBL24359630 0.77 METAP1 (0.33) METAP1ALDH1A1TDP1TSHR
SCHEMBL21227242 0.77 ALDH1A1 (0.37) METAP1ALDH1A1TDP1LMNATSHR

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
WO-2020131112-A1 THREE-DIMENSIONAL PRINTING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-06-25 WO disclosed