SCHEMBL9736823

SCHEMBL9736823

CCc1c(C#Cc2[nH]c(C=O)c(CC)c2CC)[nH]c(C=O)c1CC

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.32

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
SCHEMBL9735543 0.82 IGF1R (0.37) IGF1R
SCHEMBL9737200 0.77 TYMP (0.35)
SCHEMBL9736776 0.72 IGF1R (0.33) IGF1R
SCHEMBL15380987 0.69 TYMP (0.32) IGF1R
SCHEMBL14543745 0.68 PDGFRB (0.44) IGF1R
SCHEMBL5769612 0.68 ALDH1A1 (0.36) IGF1R
SCHEMBL15380984 0.64 ALDH1A1 (0.36) IGF1R
SCHEMBL6551705 0.63 CHAT (0.39)
SCHEMBL7380422 0.62 HTT (0.51)
SCHEMBL13228907 0.61 ALDH1A1 (0.34) IGF1R

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-5132101-A Acetylene-cumulene porphycene compounds for photodynamic therapy CYTOPHARM, INC. (US) 1992-07-21 US disclosed