SCHEMBL7640385

SCHEMBL7640385

NCCCC(=O)NCCS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.50
HDAC4 P56524 8/20 0.50
HDAC1 Q13547 8/20 0.50
HDAC7 Q8WUI4 8/20 0.50
HDAC2 Q92769 8/20 0.50
HDAC10 Q969S8 8/20 0.50
HDAC11 Q96DB2 8/20 0.50
HDAC8 Q9BY41 8/20 0.50
HDAC6 Q9UBN7 8/20 0.50
HDAC9 Q9UKV0 8/20 0.50
HDAC5 Q9UQL6 8/20 0.50
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
SLC6A5 Q9Y345 2/20 0.44
ESR1 P03372 1/20 0.43
TSHR P16473 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABBR2 O75899 1/20 0.41

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
SCHEMBL5486056 0.94 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5491618 0.92 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5489409 0.92 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9125630 0.89 SLC6A5 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL636785 0.86
SCHEMBL4989871 0.86 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11955684 0.86 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9128874 0.86 SLC6A5 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10950316 0.84 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24761185 0.84 SLC6A5 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498150-B2 USEFUL IN ENHANCING VACCINATION, INCREASING SYNTHESIS AND FUNCTION OF BLOOD CELL COMPONENTS, AND ENHANCING ANTITUMOR EFFECTS DOVETAIL TECHNOLOGIES, INC. 2002-12-24 US claimed
US-5466878-A Reducing composition for the permanent deformation of hair containing as a reducing agent, an amino mercaptoalkylamide or a salt thereof L'OREAL (FR) 1995-11-14 US claimed
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed
US-5085860-A Odorless L'OREAL (FR) 1992-02-04 US claimed
CN-114521199-A Novel cross-linked alginic acid structure 持田制药株式会社 2022-05-20 CN disclosed
US-5466878-A Reducing composition for the permanent deformation of hair containing as a reducing agent, an amino mercaptoalkylamide or a salt thereof L'OREAL (FR) 1995-11-14 US disclosed
US-5085860-A Odorless L'OREAL (FR) 1992-02-04 US disclosed