SCHEMBL2867871

SCHEMBL2867871

CCC(CCS)C(=O)NCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
USP2 O75604 3/20 0.55
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CYP2C19 P33261 2/20 0.37
CNR1 P21554 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL2871448 0.88 ALDH1A1 (0.52) TSHRUSP2ALDH1A1MEN1MAPT
SCHEMBL20145307 0.85 TSHR (0.59) TSHRUSP2ALDH1A1MEN1MAPT
SCHEMBL2868478 0.85 USP2 (0.59) TSHRUSP2ALDH1A1MEN1MAPT
SCHEMBL18638423 0.85 TSHR (0.59) TSHRUSP2ALDH1A1MEN1MAPT
SCHEMBL18664262 0.85 TSHR (0.59) TSHRUSP2ALDH1A1MEN1MAPT
SCHEMBL2876943 0.85 ALDH1A1 (0.48) TSHRUSP2ALDH1A1MEN1MAPT
SCHEMBL2877293 0.82 USP2 (0.50) TSHRUSP2ALDH1A1KMT2ACA1
SCHEMBL2877948 0.82 USP2 (0.57) TSHRUSP2ALDH1A1CA1CA2
SCHEMBL14618454 0.82 USP2 (0.67) TSHRUSP2ALDH1A1MEN1MAPT
SCHEMBL18664494 0.81 USP2 (0.62) TSHRUSP2ALDH1A1MEN1MAPT

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