SCHEMBL6027378

SCHEMBL6027378

CC(C)c1ccc(C(C)C[Al](CC(C)c2ccc(C(C)C)cc2)CC(C)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TYR P14679 2/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
USP5 P45974 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
MGLL Q99685 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
PYCR1 P32322 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL335853 0.86 ADRB2 (0.48) IDO1SMN1; SMN2LMNAHIF1AHPGD
SCHEMBL6027579 0.83 ACHE (0.47) ESR1ESR2TAAR1SMN1; SMN2LMNA
SCHEMBL335603 0.81 POLB (0.37) IDO1HTTTAAR1
SCHEMBL7122909 0.80 PGR (0.39) TYRHTTSMN1; SMN2RAB9AHPGD
SCHEMBL335496 0.80 TAAR1 (0.56) HTTL3MBTL1TAAR1SMN1; SMN2LMNA
SCHEMBL30502357 0.78 HDAC4 (0.41) TYRHTTTAAR1SMN1; SMN2LMNA
SCHEMBL6912043 0.78 ADRB2 (0.41) SMN1; SMN2RAB9AALDH1A1
SCHEMBL4379785 0.75 TAAR1 (0.50) HTTTAAR1SMN1; SMN2LMNACYP2D6
SCHEMBL4379781 0.75 TAAR1 (0.50) HTTTAAR1SMN1; SMN2LMNACYP2D6
SCHEMBL6027209 0.74 UGT2B7 (0.55) CYP2D6HIF1A

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-7141527-B1 Catalyst system and process for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2006-11-28 US disclosed
EP-1214364-B1 CATALYST SYSTEM AND PROCESS FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2003-07-16 EP disclosed
EP-1214364-A1 CATALYST SYSTEM AND PROCESS FOR THE POLYMERIZATION OF OLEFINS Basell Technology Company B.V. (NL) 2002-06-19 EP disclosed
WO-2001021674-A1 CATALYST SYSTEM AND PROCESS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-03-29 WO disclosed