SCHEMBL14444887

SCHEMBL14444887

CC(C)CCCC(C)C1CCC2C3CC(OC=O)C4CCCCC4(C)C3CCC12C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 7/20 0.53
▸ CDC25B P30305 2/20 0.53
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ POLA1 P09884 1/20 0.50
▸ INPP5D Q92835 1/20 0.49
▸ GPBAR1 Q8TDU6 1/20 0.49
▸ NPC1L1 Q9UHC9 4/20 0.48
▸ SRD5A1 P18405 4/20 0.48
▸ SRD5A2 P31213 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL27941246 0.85 CYP2D6 (0.53) CDC25ACDC25BCYP2D6CYP2C19POLA1
SCHEMBL28776586 0.85 CYP2D6 (0.53) CDC25ACDC25BCYP2D6CYP2C19POLA1
SCHEMBL28776585 0.85 CYP2D6 (0.53) CDC25ACDC25BCYP2D6CYP2C19POLA1
SCHEMBL28099715 0.82 CDC25A (0.70) CDC25ACDC25BCYP2D6CYP2C19POLA1
SCHEMBL11377212 0.82 CDC25A (0.70) CDC25ACDC25BCYP2D6CYP2C19POLA1
SCHEMBL18844064 0.82 CDC25A (0.70) CDC25ACDC25BCYP2D6CYP2C19POLA1
SCHEMBL9952544 0.82 CDC25A (0.70) CDC25ACDC25BCYP2D6CYP2C19POLA1
SCHEMBL8475208 0.81 CYP2D6 (0.55) CDC25ACDC25BCYP2D6CYP2C19POLA1
SCHEMBL10598505 0.79 CDC25A (0.71) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL14780849 0.79 CDC25A (0.71) CDC25ACYP2D6CYP2C19POLA1INPP5D

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-8399068-B2 Liquid crystal aligning agent, method of producing a liquid crystal alignment film and liquid crystal display device JSR CORPORATION (JP) 2013-03-19 — — US disclosed
EP-1818354-A2 Liquid crystal aligning agent, alignment film and liquid crystal display device JSR Corporation (JP) 2007-08-15 — — EP disclosed
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