SCHEMBL7146776

SCHEMBL7146776

C1CCCC(C2CCCCCC2)CC1.C1CCCC(C2CCCCCC2)CC1.C1CCCC(C2CCCCCC2)CC1.[Cr]

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.80
HSD17B10 Q99714 1/20 0.38
SLC18A3 Q16572 1/20 0.38
THRB P10828 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
EPHX1 P07099 1/20 0.32
HIF1A Q16665 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
SCHEMBL231054 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL11359726 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL2999797 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL6683741 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL7741464 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL48866 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
Biphenyl SCHEMBL2997707 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL22284064 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL22284066 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL241806 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2

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