SCHEMBL4595939

SCHEMBL4595939

CCCCCCCCCCCCN(CCCCC(C(N)=O)c1ccc(S(=O)(=O)NCCCC)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
CASP3 P42574 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TSHR P16473 1/20 0.42
CA12 O43570 6/20 0.42
CA9 Q16790 6/20 0.42
CA1 P00915 5/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TBXA2R P21731 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL4594047 0.89 CASP3 (0.53) EPHX2ALDH1A1LMNACASP3MAPT
SCHEMBL4595941 0.77 ALDH1A1 (0.62) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL4594650 0.77 ALDH1A1 (0.57) EPHX2ALDH1A1LMNACASP3MAPT
SCHEMBL7642789 0.73 EPHX1 (0.53) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL21359023 0.73 EPHX1 (0.53) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL4555669 0.73 EPHX1 (0.53) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL18248508 0.73 EPHX1 (0.53) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL1404164 0.73 EPHX1 (0.53) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL8763769 0.73 EPHX1 (0.53) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL8349234 0.73 TDP1 (0.64) LMNAHTTCA12CA9CA1

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-1873200-A1 An improved process for making an external plasticization of aliphatic polyamides and plasticizers useful for said plasticization Arkema France (FR) 2008-01-02 EP disclosed