SCHEMBL11487591

SCHEMBL11487591

CC(O)(CN1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11496251 0.88 KMT2A (0.50) ALDH1A1MEN1KMT2ANCOA1NCOA3
SCHEMBL11487270 0.87 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ANCOA1NCOA3
SCHEMBL11487623 0.86 LTA4H (0.50) ALDH1A1TSHRHTTKDM4ETDP1
SCHEMBL11496126 0.85 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANCOA1NCOA3
SCHEMBL11486730 0.76 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL11495695 0.75 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATSHRHTT
SCHEMBL11486521 0.75 KMT2A (0.47) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL11494367 0.75 MEN1 (0.48) ALDH1A1MEN1KMT2ANCOA3HPGD
SCHEMBL11487323 0.75 LTA4H (0.56) ALDH1A1MEN1KMT2ATSHRHTT
SCHEMBL11492547 0.75 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHRNPSR1

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-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed