SCHEMBL11829279

SCHEMBL11829279

CCCN(CCCOC(=O)CC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ PPARG P37231 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39

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
SCHEMBL12088221 0.91 CNR2 (0.46) NAAAHTTCNR2SMN1; SMN2L3MBTL1
SCHEMBL11822821 0.90 SMN1; SMN2 (0.47) CNR2PPARGSMN1; SMN2L3MBTL1TSHR
SCHEMBL11836308 0.90 NAAA (0.51) NAAAHTTCNR2SMN1; SMN2L3MBTL1
SCHEMBL11828839 0.90 HTT (0.46) NAAAHTTPPARGSMN1; SMN2KDM4E
SCHEMBL22307534 0.86 SMN1; SMN2 (0.46) HTTSMN1; SMN2TSHRTDP1KDM4E
SCHEMBL11827577 0.82 HTT (0.47) NAAAHTTPPARGSMN1; SMN2L3MBTL1
SCHEMBL25794082 0.81 NR1I2 (0.42) HTTCNR2SMN1; SMN2KDM4EKMT2A
SCHEMBL11825769 0.81 SMN1; SMN2 (0.47) PPARGSMN1; SMN2TDP1KDM4ERET
SCHEMBL17858617 0.80 SMN1; SMN2 (0.44) HTTCNR2SMN1; SMN2TSHRKDM4E
SCHEMBL13084328 0.79 SMN1; SMN2 (0.58) PPARGSMN1; SMN2MEN1KMT2ATP53

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-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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