SCHEMBL9647345

SCHEMBL9647345

O=C(CCCS)N(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
FOLH1 Q04609 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.31
CNR1 P21554 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL132324 0.85 LMNA (0.46) LMNAALDH1A1POLBHPGDGAA
SCHEMBL29407499 0.85 LMNA (0.52) LMNAALDH1A1POLBHPGDGAA
SCHEMBL3134108 0.83 LMNA (0.44) LMNAALDH1A1POLBHPGDGAA
SCHEMBL21217233 0.83 LMNA (0.44) LMNAALDH1A1POLBHPGDCA12
SCHEMBL1202392 0.83 LMNA (0.44) LMNAALDH1A1POLBHPGDCA12
SCHEMBL5355206 0.83 LMNA (0.44) LMNAALDH1A1POLBHPGDCA12
SCHEMBL4648086 0.83 LMNA (0.44) LMNAALDH1A1POLBHPGDCA12
SCHEMBL8420703 0.82 LMNA (0.38) LMNAALDH1A1
SCHEMBL21802606 0.81 GPR84 (0.44) LMNAALDH1A1POLBHPGDGAA
SCHEMBL1232870 0.80 ALDH1A1 (0.41) LMNAALDH1A1POLBHPGDGAA

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-0368763-B1 4-MERCAPTO BUTYRAMIDES N-MONO OR N,N-DISUBSTITUTED BY A MONO OR POLYHYDROXYALKYL RADICAL, AND THEIR USE AS REDUCING AGENTS IN THE PROCESS OF PERMANENT DEFORMATION OF THE HAIR L'OREAL (FR) 1992-10-14 EP claimed