SCHEMBL15082587

SCHEMBL15082587

CCOc1c2ccc(COC(=O)N3CCCCC3)cc2c(OCC)c2c(Cl)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ ENPP2 Q13822 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 4/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ MPI P34949 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL15082585 0.89 SMN1; SMN2 (0.45) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL15082576 0.88 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL15082589 0.83 GRIN2B (0.40) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL15082578 0.81 NPSR1 (0.43) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL15082558 0.80 ALDH1A1 (0.44) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL15082581 0.79 NPSR1 (0.41) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL15082567 0.78 NPSR1 (0.46) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL15082557 0.78 NPSR1 (0.46) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL15082564 0.77 MEN1 (0.45) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL15082579 0.77 ALDH1A1 (0.41) NPSR1MEN1KMT2AMAPTCYP1A2

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
EP-2615633-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) 2013-07-17 — — EP disclosed
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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