SCHEMBL7049922

SCHEMBL7049922

CC1=CC2=C(C=CC=CC2c2ccc(N(C)C)cc2)C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7048721 0.82
SCHEMBL7049918 0.73 ALDH1A1 (0.32) ALDH1A1TSHRTDP1ALOX15HSD17B10
SCHEMBL7057085 0.65
SCHEMBL30343711 0.58 ALDH1A1 (0.41) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL65261 0.55 ALDH1A1 (1.00) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL27471550 0.55 ALDH1A1 (0.41) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL29899169 0.55 ALDH1A1 (0.41) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL715735 0.54
SCHEMBL3118355 0.53 SLC18A3 (0.47) ALDH1A1TSHRMAPTTDP1ALOX15
SCHEMBL8121053 0.53 SLC18A3 (0.60) ALDH1A1TSHRMAPTTDP1ALOX15

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-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed