SCHEMBL16405258

SCHEMBL16405258

CCCC(=O)NCCSCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.47
CASP2 P42575 1/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.42
CNR1 P21554 1/20 0.42
HPGD P15428 2/20 0.41
PSMB5 P28074 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NAAA Q02083 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CTSD P07339 1/20 0.35
FAAH O00519 2/20 0.35
LPAR1 Q92633 1/20 0.35

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
SCHEMBL16405245 0.87 GBA1 (0.45) GBA1CASP2ALDH1A1TSHRCNR1
SCHEMBL14752411 0.86 CASP2 (0.46) GBA1CASP2ALDH1A1CNR1HPGD
SCHEMBL18874843 0.85 GBA1 (0.46) GBA1CASP2ALDH1A1TSHRHPGD
SCHEMBL16407986 0.84 GBA1 (0.43) GBA1CASP2ALDH1A1TSHRCNR1
SCHEMBL22338220 0.82 TSHR (0.45) GBA1ALDH1A1TSHRHPGDPSMB5
SCHEMBL8847608 0.81 CNR1 (0.57) CASP2ALDH1A1CNR1HPGDPSMB5
SCHEMBL16405256 0.80 CASP2 (0.60) GBA1CASP2ALDH1A1TSHRCNR1
SCHEMBL17752144 0.80 GBA1 (0.50) GBA1CASP2TSHRHPGDHDAC3
SCHEMBL25083274 0.80 TSHR (0.40) GBA1ALDH1A1TSHRCNR1LMNA
SCHEMBL22923668 0.80 ALDH1A1 (0.61) CASP2ALDH1A1CNR1HPGDPSMB5

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-2826493-A1 Polymer suitable for use in cell culture Stichting Katholieke Universiteit, Radboud Universiteit Nijmegen (NL) 2015-01-21 EP disclosed