SCHEMBL7146772

SCHEMBL7146772

CC(C)(C)c1cccc(C[Cr](Cc2cccc(C(C)(C)C)c2C(C)(C)C)Cc2cccc(C(C)(C)C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.31
KIF11 P52732 1/20 0.31
ALOX12 P18054 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
SCHEMBL11573824 0.81 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30749472 0.79 GABRA1 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27769429 0.79 GABRA1 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL24702055 0.78 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28839129 0.78 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL676430 0.78 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10349301 0.78 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL304569 0.75 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL702696 0.73 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28079937 0.72 AKR1B1 (0.46) CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518375-B1 Trivalent alkyl chromium compound catalyst for the production of an ethylene polymer JAPAN POLYOLEFINS CO., LTD. (JP) 2003-02-11 US disclosed
EP-1041085-B1 Catalyst for the production of ethylene polymer and process for producing ethylene polymer JAPAN POLYOLEFINS CO LTD (JP) 2002-08-14 EP disclosed
EP-1041085-A1 Catalyst for the production of ethylene polymer and process for producing ethylene polymer Japan Polyolefins Co., Ltd. (JP) 2000-10-04 EP disclosed