SCHEMBL27971742

SCHEMBL27971742

COc1c(NC(C)=O)cccc1N(OCCO)OCCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 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
SCHEMBL9350593 0.78 HSD17B10 (0.47) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL27965985 0.76 HSD17B10 (0.45) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL28859232 0.74 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL15535856 0.71 KDM4E (0.45) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL6774791 0.70 BRD4 (0.55) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL14046286 0.70 ALDH1A1 (0.61) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL28045646 0.70 TSHR (0.47) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL8374069 0.69 KDM4E (0.46) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL30931031 0.69 KDM4E (0.52) ALDH1A1TSHRKDM4ECYP1A2CYP2C9
SCHEMBL13255390 0.68 LMNA (0.51) ALDH1A1TSHRKDM4ECYP1A2CYP2C9

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
CN-104003899-A Synthetic method of o-methoxy-m-acetamido-N,N-phenyldiethanolamine diacetate ZHEJIANG HONGXIANG CHEMICAL INDUSTRY CO LTD 2014-08-27 — — CN disclosed
CN-104003899-A Synthetic method of o-methoxy-m-acetamido-N,N-phenyldiethanolamine diacetate ZHEJIANG HONGXIANG CHEMICAL INDUSTRY CO LTD 2014-08-27 — — CN disclosed
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