SCHEMBL18458271

SCHEMBL18458271

C=C(CCC)CCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.34
CA1 P00915 2/20 0.31
KDM1A O60341 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
BLM P54132 1/20 0.30

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
SCHEMBL28660811 0.90 LMNA (0.41) LMNAPTPN1CA1KDM1AMEN1
SCHEMBL7738221 0.86 LMNA (0.39) LMNAPTPN1MEN1ALOX15KMT2A
SCHEMBL18896455 0.85 CA1 (0.39) CA1
SCHEMBL7744143 0.85 LMNA (0.46) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL11692425 0.83 LMNA (0.36) LMNAPTPN1CA1KDM1AMEN1
SCHEMBL7743686 0.82 FFAR4 (0.42) LMNAMEN1KMT2A
SCHEMBL7743492 0.82 FFAR4 (0.42) LMNAMEN1KMT2A
SCHEMBL7743769 0.82 FFAR4 (0.42) LMNAMEN1KMT2A
SCHEMBL11636868 0.81 PTPN1 (0.38) LMNAPTPN1CA1KDM1AMEN1
SCHEMBL8218123 0.81 LMNA (0.35) LMNAPTPN1CA1KDM1AMEN1

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
WO-2017019175-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN NEWLINK GENETICS CORPORATION (US) 2017-02-02 WO disclosed