SCHEMBL28814977

SCHEMBL28814977

C=CC(=O)N(N)C(=O)CCCCC(=O)NN

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSD P07339 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
MAPT P10636 1/20 0.32
FAAH O00519 1/20 0.31

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
Acrylamide SCHEMBL4439667 0.79 ALDH1A1 (0.64) ALDH1A1GAATSHRSMN1; SMN2CTSD
SCHEMBL28542605 0.77 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EFAAH
SCHEMBL8724482 0.77 CTSD (0.43) ALDH1A1GAACTSDKDM4EKDM5C
SCHEMBL15129242 0.75 ALDH1A1 (0.48) ALDH1A1GAATSHRSMN1; SMN2CTSD
Acrylic Acid SCHEMBL27988800 0.75 ALDH1A1 (0.64) ALDH1A1GAATSHRSMN1; SMN2CTSD
Acrylamide SCHEMBL28278428 0.74 ALDH1A1 (0.58) ALDH1A1GAATSHRSMN1; SMN2CTSD
SCHEMBL12473271 0.72 ALDH1A1 (0.51) ALDH1A1GAATSHRSMN1; SMN2CTSD
Urea SCHEMBL17074125 0.72 ALDH1A1 (0.58) ALDH1A1GAATSHRSMN1; SMN2CTSD
Ethylene SCHEMBL28152949 0.72 ALDH1A1 (0.64) ALDH1A1GAATSHRSMN1; SMN2CTSD
SCHEMBL14107095 0.72 CTSD (0.46) ALDH1A1GAACTSDKDM4EKDM5C

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-104220474-B Polymers, compositions and uses 帝斯曼知识产权资产管理有限公司 2017-05-17 CN disclosed
CN-104220474-A Polymers, compositions and uses DSM IP ASSETS BV 2014-12-17 CN disclosed