SCHEMBL2877900

SCHEMBL2877900

CCCC(CS)C(=O)NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
TSHR P16473 5/20 0.45
USP2 O75604 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL2868478 0.85 USP2 (0.59) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL20145307 0.85 TSHR (0.59) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL2876943 0.85 ALDH1A1 (0.48) TSHRUSP2MEN1ALDH1A1MAPT
SCHEMBL18638423 0.85 TSHR (0.59) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL18664262 0.85 TSHR (0.59) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL2880184 0.84 ALDH1A1 (0.56) TSHRUSP2MEN1ALDH1A1MAPT
SCHEMBL2875019 0.81 USP2 (0.45) TSHRUSP2MEN1ALDH1A1MAPT
SCHEMBL2876900 0.81 TSHR (0.46) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL2873885 0.80 USP2 (0.44) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL15478713 0.80 HDAC1 (0.49) HDAC7HDAC8HDAC6HDAC9HDAC5

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
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP claimed
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP disclosed