SCHEMBL11436989

SCHEMBL11436989

CCCOc1ccc(CCNCCN(CCC)CC2CCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ ACACB O00763 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL11429863 0.94 MAPT (0.49) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL11430227 0.93 HPGD (0.44) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL11435253 0.90 KMT2A (0.48) MAPTGAAALDH1A1HPGDNPC1
SCHEMBL11441559 0.89 GAA (0.52) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL11435607 0.85 HPGD (0.45) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL11426678 0.85 RAB9A (0.47) MAPTALDH1A1NPC1RORCLMNA
SCHEMBL11437547 0.84 ACACB (0.44) MAPTGAANPC1ACACBLMNA
SCHEMBL11441966 0.82 KMT2A (0.51) GAAALDH1A1HPGDNPC1LMNA
SCHEMBL11435190 0.80 SMN1; SMN2 (0.46) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL11437011 0.77 RAB9A (0.48) ALDH1A1NPC1LMNACYP1A2CYP2D6

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
EP-0017376-A1 Phenylacetamide compounds and an analgesic composition containing them KISSEI PHARMACEUTICAL CO. LTD (JP) 1980-10-15 — — EP disclosed
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