SCHEMBL10299692

SCHEMBL10299692

CC(C)CCCC(C)C1CCC2C3CCC4C(C)(CCC(c5ccc(OCOc6ccc7c(c6)C(=O)OC7=O)cc5)(c5ccc(C(OO)c6ccc7c(c6)C(=O)OC7=O)cc5)C4(C)C)C3CCC12C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
SRD5A1 P18405 6/20 0.38
SRD5A2 P31213 3/20 0.38
CDC25A P30304 4/20 0.36
NPC1L1 Q9UHC9 3/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
POLA1 P09884 1/20 0.36
CD4 P01730 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORA P35398 1/20 0.35

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
SCHEMBL10054720 0.90 FNTA (0.38) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL10299690 0.88 CDC25A (0.42) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL12607348 0.80 CDC25A (0.46) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL10054706 0.78 CDC25A (0.40) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL15682137 0.78 CDC25A (0.41) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL2608109 0.78 CDC25A (0.47) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL12120752 0.78 CD4 (0.38) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL2622079 0.78 CDC25A (0.44) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL11994882 0.76 CDC25A (0.39) FNTAFNTBSRD5A1SRD5A2CDC25A
SCHEMBL10299694 0.75 NPC1L1 (0.39) FNTAFNTBSRD5A1SRD5A2CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216649-B2 Liquid crystal aligning agent, method of producing a liquid crystal alignment film and liquid crystal display device JSR CORPORATION (JP) 2012-07-10 US disclosed
US-20110068301-A1 LIQUID CRYSTAL ALIGNING AGENT, METHOD OF PRODUCING A LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE JSR CORPORATION (JP) 2011-03-24 US disclosed