SCHEMBL5070695

SCHEMBL5070695

C=Cc1cccc(C(C)c2cccc(C(C)c3ccccc3C=C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
TYR P14679 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
SCHEMBL5662269 0.95 PTGS2 (0.39) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL5070673 0.94 TP53 (0.40) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL5664305 0.91 ALDH1A1 (0.36) TP53TDP1ALDH1A1TYR
SCHEMBL5662977 0.90 ALDH1A1 (0.33) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL5665061 0.87 TP53 (0.47) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL1645654 0.85 TP53 (0.52) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL593657 0.83 TP53 (0.54) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL7932288 0.82 TDP1 (0.48) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL5662398 0.81 TP53 (0.42) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL5070661 0.81 ALDH1A1 (0.39) PTGS2ALDH1A1TSHRTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966290-A2 POROUS MONOLITHIC ORGANIC COPOLYMER FOR BIOPOLYMER CHROMATOGRAPHY Leopold-Franzens-Universität Innsbruck (AT) 2008-09-10 EP disclosed
WO-2007073865-A2 POROUS MONOLITHIC ORGANIC COPOLYMER FOR BIOPOLYMER CHROMATOGRAPHY LEOPOLD-FRANZENS-UNIVERSITÄT INNSBRUCK (AT) 2007-07-05 WO disclosed
US-20070144972-A1 Monolithic Organic Copolymer for Biopolymer Chromatography LEOPOLD-FRANZENS-UNIVERSITAT INNSBRUCK (AT) 2007-06-28 US disclosed