SCHEMBL2124266

SCHEMBL2124266

Cc1cccc([Al-](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.Cc1cccc([NH3+])c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
RAPGEF4 Q8WZA2 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
PBRM1 Q86U86 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
PARP1 P09874 1/20 0.32
IDO1 P14902 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5167013 0.87 RAPGEF4 (0.37) ACHERAPGEF4TRPA1ATM
SCHEMBL5166755 0.81 TRPA1 (0.34) ACHERAPGEF4CYP1A2CYP2A6TRPA1
SCHEMBL1450779 0.80 ACHE (0.58) ACHECYP1A2ALDH1A1MAPK1TAAR1
Potassium Ion SCHEMBL134408 0.80 ACHE (0.58) ACHECYP1A2ALDH1A1MAPK1TAAR1
SCHEMBL137227 0.78 ACHE (0.55) ACHECYP1A2ALDH1A1MAPK1TAAR1
Lithium Ion SCHEMBL136597 0.78 ACHE (0.55) ACHECYP1A2ALDH1A1MAPK1TAAR1
SCHEMBL5080684 0.77 CYP1A2 (0.35) ACHERAPGEF4CYP1A2CYP2A6ALDH1A1
SCHEMBL5028488 0.75 ACHE (0.38) ACHERAPGEF4CYP1A2CYP2A6ALDH1A1
SCHEMBL6694445 0.74 TRPA1 (0.41) ACHERAPGEF4CYP1A2CYP2A6ALDH1A1
Potassium Ion SCHEMBL5169933 0.71 ACHE (0.46) ACHECYP1A2ALDH1A1MAPK1TAAR1

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-3440118-A1 LOW PRESSURE PROCESS FOR PREPARING LOW-DENSITY POLYETHYLENE Chevron Phillips Chemical Company LP (US) 2019-02-13 EP disclosed
WO-2017201304-A1 LOW PRESSURE PROCESS FOR PREPARING LOW-DENSITY POLYETHYLENE CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-11-23 WO disclosed
EP-2443160-A1 OLIGOMERIZATION OF ALPHA OLEFINS USING METALLOCENE-SSA CATALYST SYSTEMS AND USE OF THE RESULTANT POLYALPHAOLEFINS TO PREPARE LUBRICANT BLENDS Chevron Phillips Chemical Company LP (US) 2012-04-25 EP disclosed
WO-2010147993-A1 OLIGOMERIZATION OF ALPHA OLEFINS USING METALLOCENE-SSA CATALYST SYSTEMS AND USE OF THE RESULTANT POLYALPHAOLEFINS TO PREPARE LUBRICANT BLENDS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2010-12-23 WO disclosed