SCHEMBL6012037

SCHEMBL6012037

CC(C)(C)c1ccc(-c2cccc3c2C=C[CH]3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PTAFR P25105 1/20 0.35
KIF11 P52732 3/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
DGAT1 O75907 2/20 0.34
S1PR1 P21453 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NR2F2 P24468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 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
SCHEMBL730698 0.85 RXRA (0.36) PTAFRKIF11NPC1RAB9AALDH1A1
SCHEMBL28031396 0.84 KIF11 (0.42) PTAFRKIF11NPC1RAB9AALDH1A1
SCHEMBL28425655 0.80 RXRA (0.33) PTAFRKIF11
SCHEMBL28041355 0.80 RXRA (0.33) PTAFRKIF11
SCHEMBL28041346 0.79 KIF11 (0.39) PTAFRKIF11NPC1RAB9AALDH1A1
SCHEMBL6650232 0.79 PTGS2 (0.36) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL21381490 0.79 KIF11 (0.39) TSHRKIF11NPC1RAB9ALMNA
SCHEMBL26190 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL28031409 0.77 PTGS2 (0.40) TSHRPTAFRNPC1RAB9ATP53
SCHEMBL28030817 0.77 ALDH1A1 (0.35) TSHRNPC1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112154163-B Transition metal compound and method for preparing polypropylene using the same LG化学株式会社 2022-12-27 CN disclosed
CN-112154163-A Novel transition metal compound and method for preparing polypropylene using the same LG化学株式会社 2020-12-29 CN disclosed
CN-105008408-B METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER 日本聚乙烯株式会社 2017-05-10 CN disclosed
CN-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed
CN-105008408-A METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER JAPAN POLYETHYLENE CORP 2015-10-28 CN disclosed
EP-1620448-A1 PROCESS FOR THE PRODUCTION OF HALIDE METALLOCENE COMPOUNDS Basell Polyolefine GmbH (DE) 2006-02-01 EP disclosed
US-6870016-B1 Polymerization process and polymer composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-22 US disclosed
WO-2004099225-A1 PROCESS FOR THE PRODUCTION OF HALIDE METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2004-11-18 WO disclosed
EP-1421090-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2004-05-26 EP disclosed
WO-2003002583-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-09 WO disclosed