SCHEMBL8952322

SCHEMBL8952322

CC(C)=CCC[C@H](C)CCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.45
▸ HPGD P15428 5/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL8952243 1.00 ALDH1A1 (0.45) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL8952374 0.93 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL8952238 0.93 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL8952594 0.80 L3MBTL1 (0.43) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL8952643 0.80 L3MBTL1 (0.43) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL9419701 0.79 L3MBTL1 (0.48) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL1495136 0.78 L3MBTL1 (0.49) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL4749492 0.78 L3MBTL1 (0.49) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL5085693 0.78 L3MBTL1 (0.49) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL9119629 0.77 ALDH1A1 (0.42) ALDH1A1HPGDMAPK1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 — — EP disclosed
EP-0697873-A4 — — 1996-04-03 — — EP disclosed
EP-0697873-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-02-28 — — EP disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 — — EP disclosed
WO-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
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