SCHEMBL4629704

SCHEMBL4629704

CCCCCCCCCCCCCCCCCCCCCC(=O)NNCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HSP90AA1 P07900 1/20 0.57
FAAH O00519 6/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.52
DNM1 Q05193 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
CASP2 P42575 1/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
GPR84 Q9NQS5 2/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL249559 1.00 HDAC3 (0.61) HDAC3HDAC1HDAC2HSP90AA1FAAH
SCHEMBL119271 1.00 HDAC3 (0.61) HDAC3HDAC1HDAC2HSP90AA1FAAH
SCHEMBL4662735 1.00 HDAC3 (0.61) HDAC3HDAC1HDAC2HSP90AA1FAAH
SCHEMBL2416986 1.00 HDAC3 (0.61) HDAC3HDAC1HDAC2HSP90AA1FAAH
SCHEMBL248584 1.00 HDAC3 (0.61) HDAC3HDAC1HDAC2HSP90AA1FAAH
Iodide SCHEMBL28676977 0.98 HDAC3 (0.59) HDAC3HDAC1HDAC2HSP90AA1FAAH
Hydrochloric Acid SCHEMBL16443869 0.98 HDAC3 (0.59) HDAC3HDAC1HDAC2HSP90AA1FAAH
Hydrochloric Acid SCHEMBL11128124 0.98 HDAC3 (0.59) HDAC3HDAC1HDAC2HSP90AA1FAAH
Hydrochloric Acid SCHEMBL14742603 0.98 HDAC3 (0.59) HDAC3HDAC1HDAC2HSP90AA1FAAH
SCHEMBL28720559 0.98 HDAC3 (0.59) HDAC3HDAC1HDAC2HSP90AA1FAAH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116370326-A Composition for reinforcing keratin fibres 威娜德国有限责任公司 2023-07-04 CN disclosed
CN-107920973-B Surface modification composition 株式会社LG生活健康 2021-05-07 CN disclosed
EP-1338644-B1 Concentrated aqueous solutions of betains EVONIK GOLDSCHMIDT GMBH (DE) 2008-10-15 EP disclosed
EP-1516915-A1 Highly concentrated aqueous solutions of amphoteric surfactants Clariant GmbH (DE) 2005-03-23 EP disclosed
EP-1338644-A1 Concentrated aqueous solutions of betains or amine oxides Clariant GmbH (DE) 2003-08-27 EP disclosed
US-4436521-A Process for producing dyed and anti-shrink treated wool SANDOZ LTD. (CH) 1984-03-13 US disclosed