SCHEMBL11836308

SCHEMBL11836308

CCCCN(CCCCOC(=O)CC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.51
▸ CNR2 P34972 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TSHR P16473 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ BCHE P06276 3/20 0.42
▸ ACHE P22303 2/20 0.42

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
SCHEMBL11829279 0.90 NAAA (0.45) NAAACNR2HTTTSHRTP53
SCHEMBL26837455 0.87 ALDH1A1 (0.49) CNR2TSHRTP53CYP3A4MAPK1
SCHEMBL11828839 0.85 HTT (0.46) NAAAHTTCYP3A4ALDH1A1LMNA
SCHEMBL22307534 0.85 SMN1; SMN2 (0.46) HTTTSHRTP53CYP3A4ALDH1A1
SCHEMBL12088221 0.84 CNR2 (0.46) NAAACNR2HTTTSHRTP53
SCHEMBL11670832 0.82 CNR2 (0.44) CNR2TSHRTP53CYP3A4MAPK1
SCHEMBL11498536 0.80 RAD52 (0.49) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL11822821 0.80 SMN1; SMN2 (0.47) CNR2TSHRTP53ALDH1A1TDP1
SCHEMBL25794082 0.80 NR1I2 (0.42) CNR2HTTTP53ALDH1A1LMNA
SCHEMBL10993847 0.79 CNR2 (0.46) CNR2TSHRTP53CYP3A4MAPK1

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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