SCHEMBL5080684

SCHEMBL5080684

Cc1ccc([Al-](c2ccc(C)cc2C)(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.Cc1cccc([NH3+])c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1450871 0.79 TDP1 (0.46) CYP1A2CYP2A6RAPGEF4TP53ALDH1A1
SCHEMBL2124266 0.77 ACHE (0.38) CYP1A2CYP2A6RAPGEF4ALDH1A1MAPK1
SCHEMBL132865 0.77 TDP1 (0.44) CYP1A2CYP2A6RAPGEF4TP53ALDH1A1
Potassium Ion SCHEMBL134597 0.77 TDP1 (0.44) CYP1A2CYP2A6RAPGEF4TP53ALDH1A1
Lithium Ion SCHEMBL136411 0.77 TDP1 (0.44) CYP1A2CYP2A6RAPGEF4TP53ALDH1A1
SCHEMBL5166755 0.77 TRPA1 (0.34) CYP1A2CYP2A6RAPGEF4ACHETDP1
SCHEMBL5167013 0.75 RAPGEF4 (0.37) RAPGEF4ACHETRPA1ATM
SCHEMBL6694445 0.73 TRPA1 (0.41) CYP1A2CYP2A6RAPGEF4ALDH1A1KMT2A
SCHEMBL5028488 0.70 ACHE (0.38) CYP1A2CYP2A6RAPGEF4ALDH1A1MAPK1
SCHEMBL538774 0.69 TDP1 (0.34) CYP1A2CYP2A6TP53ALDH1A1ACHE

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-1957546-A1 CATALYSEURS DE LA POLYMERISATION DES OLEFINES Chevron Phillips Chemical Company LP (US) 2008-08-20 EP disclosed
EP-1933980-A2 POLYMERIZATION CATALYSTS AND PROCESS FOR PRODUCING BIMODAL POLYMERS IN A SINGLE REACTOR Chevron Phillips Chemical Company LP (US) 2008-06-25 EP disclosed
WO-2007059200-A1 CATALYSEURS DE LA POLYMERISATION DES OLEFINES CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-05-24 WO disclosed
WO-2007037836-A2 POLYMERIZATION CATALYSTS AND PROCESS FOR PRODUCING BIMODAL POLYMERS IN A SINGLE REACTOR CHEVRON PHILLIPS CHEMICAL CO LP (US) 2007-04-05 WO disclosed