SCHEMBL6912043

SCHEMBL6912043

CC(C[Al](CC(C)c1ccc(Cl)cc1)CC(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.CC(C[Al](CC(C)c1ccc(F)cc1)CC(C)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
C3AR1 Q16581 1/20 0.37
SLC6A3 Q01959 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
P2RX3 P56373 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FFAR2 O15552 1/20 0.35
CNR1 P21554 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7699622 0.93 KMT2A (0.42) ADRB2MEN1KMT2AC3AR1SLC6A3
SCHEMBL335603 0.90 POLB (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL335853 0.90 ADRB2 (0.48) ADRB2C3AR1SLC6A3SLC6A2SLC6A4
SCHEMBL5078508 0.83 POLB (0.47) KMT2ASLC6A4MAPTALDH1A1NPC1
SCHEMBL5109245 0.82 ADRB2 (0.45) ADRB2MEN1KMT2AC3AR1SLC6A3
SCHEMBL6027378 0.78 IDO1 (0.40) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7122909 0.76 PGR (0.39) ADRB2MEN1KMT2AC3AR1SLC6A3
SCHEMBL6935122 0.76 ADRB2 (0.50) ADRB2MEN1KMT2AP2RX3SLC6A4
SCHEMBL5109242 0.73 POLB (0.40) ADRB2MEN1KMT2ASLC6A3CNR1
SCHEMBL21910182 0.72 TSHR (0.48) ADRB2MEN1KMT2ASLC6A3P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703458-B2 COORDINATION CATALYSTS; SPHERICAL MORPHOLOGY BASELL POLYOLEFINE GMBH (DE) 2004-03-09 US disclosed
US-20030018146-A1 Catalyst components for the polymerization of olefins EQUISTAR CHEMICALS, LP 2003-01-23 US disclosed