SCHEMBL8438688

SCHEMBL8438688

C1=CC(c2ccccc2)=C(C2=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)C1.[Co]

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
PTGS1 P23219 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
SCHEMBL5892367 0.85 CFTR (0.39) KMT2AALDH1A1CFTRGOPC
SCHEMBL7638439 0.85 CFTR (0.39) KMT2AALDH1A1CFTRGOPC
SCHEMBL27459954 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28254291 0.73
SCHEMBL3784660 0.73 ALDH1A1 (0.50) ALDH1A1
SCHEMBL11589891 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8440556 0.71 ALDH1A1 (0.61) KMT2AALDH1A1
SCHEMBL5087080 0.70 ALDH1A1 (0.35) KMT2AALDH1A1
SCHEMBL11753216 0.70 ALDH1A1 (0.35) ALDH1A1CFTRGOPC
SCHEMBL8755017 0.70 ALDH1A1 (0.35) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5876830-A Method of assembly of molecular-sized nets and scaffolding BOARD OF REGENTS OF THE UNIVERSITY OF COLORADO (US) 1999-03-02 US disclosed
WO-1997009158-A1 METHOD OF ASSEMBLY OF MOLECULAR-SIZED NETS AND SCAFFOLDING BOARD OF REGENTS OF THE UNIVERSITY OF COLORADO (US) 1997-03-13 WO disclosed