SCHEMBL15082580

SCHEMBL15082580

CC(C)Oc1c2ccccc2c(OC(C)C)c2cc(COC(=O)N3CCCCC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ PTGER4 P35408 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
SCHEMBL15082557 0.87 NPSR1 (0.46) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082567 0.87 NPSR1 (0.46) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082564 0.86 MEN1 (0.45) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082585 0.85 SMN1; SMN2 (0.45) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082578 0.83 NPSR1 (0.43) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082558 0.82 ALDH1A1 (0.44) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082582 0.82 NPSR1 (0.45) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082581 0.81 NPSR1 (0.41) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082579 0.79 ALDH1A1 (0.41) NPSR1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL15082576 0.77 NPSR1 (0.44) NPSR1MEN1KMT2ACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130171835-A1 COMPOSITION FOR WATER-REPELLENT TREATMENT OF SURFACE, AND METHOD FOR WATER-REPELLENT TREATMENT OF SURFACE OF SEMICONDUCTOR SUBSTRATE USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-07-04 — — US disclosed
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