SCHEMBL9735543

SCHEMBL9735543

CCc1c(C=O)[nH]c(C=O)c1CC

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.37
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9736776 0.84 IGF1R (0.33) IGF1R
SCHEMBL9736823 0.82 IGF1R (0.32) IGF1R
SCHEMBL15380987 0.80 TYMP (0.32) IGF1R
SCHEMBL5769612 0.79 ALDH1A1 (0.36) IGF1RALDH1A1POLBKMT2A
SCHEMBL14543745 0.79 PDGFRB (0.44) IGF1RALDH1A1POLBKMT2A
SCHEMBL6551705 0.78 CHAT (0.39) ALDH1A1POLBKMT2A
SCHEMBL15380984 0.74 ALDH1A1 (0.36) IGF1RALDH1A1POLBKMT2A
SCHEMBL7380422 0.71 HTT (0.51) ALDH1A1POLB
SCHEMBL13228907 0.71 ALDH1A1 (0.34) IGF1RALDH1A1POLBKMT2A
SCHEMBL8343695 0.69 GRIN2D (0.39) ALDH1A1KMT2A

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