SCHEMBL11495474

SCHEMBL11495474

CCC(C)NCCC(C)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HTT P42858 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL11489610 0.87 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1FFAR1
SCHEMBL11489088 0.87 MEN1 (0.44) MEN1KMT2ANPSR1HTTHPGD
SCHEMBL11493561 0.82 FFAR1 (0.39) MEN1KMT2AFFAR1GAAMAPT
SCHEMBL11489266 0.82 SLC6A4 (0.52) FFAR1GAASLC6A4UTS2RFNTA
SCHEMBL11489538 0.81 FFAR1 (0.39) MEN1KMT2AFFAR1GAAMAPT
SCHEMBL27629258 0.80 FFAR1 (0.43) FFAR1GAAMAPTSLC6A4UTS2R
SCHEMBL11496101 0.79 KMT2A (0.42) MEN1KMT2AFFAR1GAASMN1; SMN2
SCHEMBL11606085 0.78 FFAR1 (0.39) KMT2ANPSR1FFAR1GAASLC6A4
SCHEMBL11496048 0.78 FFAR1 (0.39) MEN1KMT2AFFAR1GAASLC6A4
SCHEMBL11489286 0.77 FNTA (0.46) HTTALDH1A1FFAR1MAPTUTS2R

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
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