SCHEMBL11494367

SCHEMBL11494367

CC(O)(CN1CCOCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44

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
SCHEMBL11492188 0.87 CD274 (0.49) CD274CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11496251 0.87 KMT2A (0.50) MEN1KMT2ACD274NPC1RAB9A
SCHEMBL11495715 0.87 ALDH1A1 (0.52) MEN1KMT2ACD274LMNANPC1
SCHEMBL11486715 0.86 ALDH1A1 (0.62) MEN1KMT2AHPGDCD274LMNA
SCHEMBL11488903 0.85 CYP2D6 (0.46) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL11489245 0.83 ALDH1A1 (0.56) MEN1KMT2AHPGDCD274LMNA
SCHEMBL11494370 0.80 SMN1; SMN2 (0.46) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL11487591 0.75 ALDH1A1 (0.50) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL14354524 0.74 CHRM2 (0.56) MEN1KMT2ACYP2D6LMNAALDH1A1
SCHEMBL11496100 0.73 ALDH1A1 (0.60) MEN1KMT2ACD274LMNASMN1; SMN2

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