SCHEMBL9729341

SCHEMBL9729341

OC(c1ccccc1)C(NCc1ccco1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 1/20 0.57
AOC3 Q16853 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42
MAN2A1 Q16706 2/20 0.42
MAN1B1 Q9UKM7 2/20 0.42
GAA P10253 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL7635018 0.84 ALDH1A1 (0.55) L3MBTL1MAPTALDH1A1KMT2ALMNA
SCHEMBL28318922 0.81 L3MBTL1 (0.66) L3MBTL1MAPTALDH1A1KMT2ALMNA
SCHEMBL22716418 0.81 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1KMT2ALMNA
SCHEMBL22716417 0.81 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1KMT2ALMNA
SCHEMBL5269591 0.78 AOC3 (0.55) AOC3ALDH1A1KMT2ALMNANPSR1
SCHEMBL13191170 0.78 AOC3 (0.55) AOC3ALDH1A1KMT2ALMNANPSR1
SCHEMBL8795665 0.78 ALDH1A1 (0.49) L3MBTL1MAPTALDH1A1KMT2AHPGD
SCHEMBL9462452 0.77 MAPT (0.70) L3MBTL1MAPTALDH1A1KMT2ALMNA
SCHEMBL9462454 0.77 MAPT (0.70) L3MBTL1MAPTALDH1A1KMT2ALMNA
SCHEMBL10741036 0.74 KDM4E (0.59) L3MBTL1MAPTAOC3ALDH1A1KMT2A

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-5171753-A Derivatives of 2-amino-1-phenylethanol having antiulcer activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-12-15 US disclosed