SCHEMBL15380987

SCHEMBL15380987

CCCc1c(-c2[nH]c(C=O)c(CC)c2CCC)[nH]c(C=O)c1CC

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.32
IGF1R P08069 1/20 0.31

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 0.80 IGF1R (0.37) IGF1R
SCHEMBL15380984 0.75 ALDH1A1 (0.36) IGF1R
SCHEMBL9736776 0.71 IGF1R (0.33) IGF1R
SCHEMBL9738336 0.71 TYMP (0.32) TYMP
SCHEMBL29954782 0.68 ALDH1A1 (0.37) IGF1R
SCHEMBL14543745 0.67 PDGFRB (0.44) IGF1R
SCHEMBL28804680 0.66 RAB9A (0.54)
SCHEMBL14864027 0.65 P2RX7 (0.36) TYMP
SCHEMBL25253782 0.65 SMN1; SMN2 (0.57) IGF1R
SCHEMBL8717364 0.64 KDM4E (0.38) 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-8580845-B2 Functionalized expanded porphyrins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-11-12 US disclosed