SCHEMBL11227595

SCHEMBL11227595

CCOc1ccc(COC2CN(C(C)C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.43
NQO1 P15559 1/20 0.41
ACACB O00763 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GRM2 Q14416 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL11231901 0.86 NAAA (0.43) NAAAHRH3POLBCTSLCTSB
SCHEMBL11234577 0.85 NAAA (0.58) NAAAALDH1A1MEN1KMT2AHRH3
SCHEMBL11225338 0.84 NAAA (0.47) NAAANQO1ALDH1A1MAPTMEN1
SCHEMBL11230944 0.82 NAAA (0.45) NAAANQO1ALDH1A1MAPTMEN1
SCHEMBL11236472 0.81 NAAA (0.56) NAAACTSLCTSBCTSKCARM1
SCHEMBL11234409 0.80 CARM1 (0.48) NAAACTSLCTSBCTSKCARM1
SCHEMBL11221320 0.80 CTSL (0.57) NAAAHRH3CTSLCTSBCTSK
SCHEMBL11232830 0.79 NAAA (0.43) NAAANQO1ALDH1A1MAPTMEN1
SCHEMBL11233979 0.74 TP53 (0.52) NAAAACACBALDH1A1MAPTMEN1
SCHEMBL11226439 0.73 NAAA (0.45) NAAAHRH3CTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US claimed
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 US disclosed