SCHEMBL7733727

SCHEMBL7733727

CC(C)COC(C)Nc1ccccc1NC(C)OCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.33
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
ALOX12 P18054 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
ELANE P08246 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7733717 0.81 L3MBTL1 (0.37) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL7734444 0.73 TDP1 (0.37) ALDH1A1TSHRTDP1SMN1; SMN2NPC1
SCHEMBL10408246 0.71 MAPT (0.44) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL11545058 0.70 KMT2A (0.39) ALDH1A1TDP1KMT2ALMNAMEN1
SCHEMBL10694758 0.69 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2ALMNAMEN1
SCHEMBL10090580 0.68 ELANE (0.32) ALDH1A1TSHRKMT2AL3MBTL1POLB
SCHEMBL7770774 0.68 GAA (0.44) ALDH1A1TSHRNPSR1TDP1SMN1; SMN2
SCHEMBL7736376 0.68 TDP1 (0.33) ALDH1A1TDP1ALOX12
SCHEMBL2962223 0.66 TDP1 (0.57) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL9764367 0.65 HTR2C (0.43) ALDH1A1SIRT2KMT2AMEN1ALOX12

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-6399272-B1 Phenylenediamine derivative-type additive useful for a chemically amplified photoresist HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-06-04 US disclosed