SCHEMBL11233979

SCHEMBL11233979

CCOc1ccc(N2CC(OCc3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
BACE1 P56817 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
ACACB O00763 9/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
NAAA Q02083 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL11225338 0.79 NAAA (0.47) TP53MAPTNPC1ALDH1A1RAB9A
SCHEMBL11230944 0.77 NAAA (0.45) TP53MAPTNPC1ALDH1A1RAB9A
SCHEMBL9965812 0.75 CTSL (0.62) CTSLCTSBCTSKNAAA
SCHEMBL20875967 0.75 MAOB (0.54) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11232830 0.74 NAAA (0.43) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11227595 0.74 NAAA (0.43) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11293541 0.73 LMNA (0.67) TP53MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL11229024 0.72 CTSL (0.58) TP53NPC1ALDH1A1SMN1; SMN2CTSL
SCHEMBL21667797 0.70 BPTF (0.61) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18361624 0.70 OPRM1 (0.57) CTSLCTSBCTSKNAAA

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-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