SCHEMBL7059449

SCHEMBL7059449

Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.[V+5].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
CYP2A6 P11509 2/20 0.34
CYP1A2 P05177 1/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPMT P51580 1/20 0.33
PSMB5 P28074 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
METAP2 P50579 1/20 0.32
TSPO P30536 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
SCHEMBL5909751 0.92 ACHE (0.41) ACHETSHRLMNAALOX12ADORA2A
SCHEMBL28918389 0.86 LMNA (0.36) ACHETSHRLMNAALOX12ADORA2A
SCHEMBL7034016 0.81 ACHE (0.53) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL25633930 0.81 ACHE (0.53) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL5909841 0.81 ACHE (0.53) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL7185976 0.80 CYP1A2 (0.38) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL143876 0.80 ALDH1A1 (0.50) ACHETSHRLMNAALOX12ALDH1A1
Benzene SCHEMBL31091106 0.80 ALDH1A1 (0.50) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL11707018 0.80 ALDH1A1 (0.50) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL21810702 0.79 ACHE (0.50) ACHETSHRLMNAALOX12ALDH1A1

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
EP-1178949-B1 PROCESS FOR THE PREPARATION OF 1-HEXENE POLIMERI EUROPA SPA (IT) 2003-05-07 EP claimed
US-6459007-B1 PROCESS FOR THE PREPARATION OF 1-HEXENE COMPRISING OLIGOMERIZING ETHYLENE IN THE PRESENCE OF A CATALYST WHEREIN SAID CATALYST COMPRISES A VANADIUM COMPLEX HAVING AN ARENE GROUP ENICHEM S.P.A. (IT) 2002-10-01 US claimed
EP-1178949-B1 PROCESS FOR THE PREPARATION OF 1-HEXENE POLIMERI EUROPA SPA (IT) 2003-05-07 EP disclosed
US-6459007-B1 PROCESS FOR THE PREPARATION OF 1-HEXENE COMPRISING OLIGOMERIZING ETHYLENE IN THE PRESENCE OF A CATALYST WHEREIN SAID CATALYST COMPRISES A VANADIUM COMPLEX HAVING AN ARENE GROUP ENICHEM S.P.A. (IT) 2002-10-01 US disclosed