SCHEMBL8975691

SCHEMBL8975691

CNCCC(=O)NCCSSCCNC(=O)CCNC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.38
TSHR P16473 3/20 0.37
CASP2 P42575 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NAAA Q02083 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR1 Q92633 1/20 0.33
FBP1 P09467 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL25700613 0.91 LMNA (0.39) LMNAALDH1A1TSHRCASP2CA1
SCHEMBL16526493 0.84 LMNA (0.41) LMNAALDH1A1TSHRCASP2CA1
SCHEMBL22369819 0.82 LMNA (0.36) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22056519 0.82 TSHR (0.42) LMNAALDH1A1TSHRCASP2NAAA
SCHEMBL14002750 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCASP2NAAAMEN1
SCHEMBL15344335 0.81 FAAH (0.39) LMNAALDH1A1TSHRCASP2FAAH
SCHEMBL22338310 0.80 TSHR (0.45) LMNAALDH1A1TSHRCASP2NAAA
SCHEMBL13367647 0.80 MEN1 (0.47) LMNATSHRMEN1KMT2AFBP1
SCHEMBL8975786 0.80 LMNA (0.43) LMNAALDH1A1TSHRCA1CA2
SCHEMBL14976750 0.80 CASP2 (0.57) LMNAALDH1A1CASP2NAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514282-B1 Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair OREAL (FR) 1996-04-10 EP claimed