SCHEMBL27205652

SCHEMBL27205652

COc1ccc(C2C=C(C(C)(C)C)c3cc(C(C)(C)C)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
STING1 Q86WV6 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
Hydrochloric Acid SCHEMBL27521185 0.68 ALDH1A1 (0.36) ALDH1A1HPGDMAPTALOX15RECQL
SCHEMBL7941654 0.67 ALDH1A1 (0.35) ALDH1A1HPGDMAPTALOX15RECQL
SCHEMBL78643 0.67 MAPT (0.64) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL3665016 0.67 MAPT (0.64) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL23272671 0.66 ALDH1A1 (0.37) ALDH1A1HPGDMAPTLMNAMAPK1
Fluoride SCHEMBL31538992 0.65 MAPT (0.62) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL27206018 0.65 ALDH1A1 (0.49) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL10070190 0.65 ALDH1A1 (0.65) ALDH1A1HPGDMAPTLMNAMEN1
SCHEMBL8366258 0.65 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2627140 0.63 CYP2A6 (0.56) ALDH1A1MAPTLMNAMAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209127-A1 NEW METALLOCENE CATALYST AND USE THEREOF TOTALENERGIES ONETECH BELGIUM (BE) 2024-06-27 US disclosed
EP-4347667-A1 NEW METALLOCENE CATALYST AND USE THEREOF TotalEnergies OneTech Belgium (BE) 2024-04-10 EP disclosed
CN-117396523-A Novel metallocene catalysts and their use 道达尔能源一技术比利时公司 2024-01-12 CN disclosed
CN-105829326-A Bridged bis (indenyl) transition metal complexes, their preparation and use 埃克森美孚化学专利公司 2016-08-03 CN disclosed