SCHEMBL6440790

SCHEMBL6440790

CCCCC(CCC)CCCCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 5/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL16896968 0.98 SMN1; SMN2 (0.52) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL16548258 0.98 SMN1; SMN2 (0.52) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL3090863 0.98 SMN1; SMN2 (0.52) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL3088613 0.95 LMNA (0.62) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL7208155 0.95 LMNA (0.62) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL3098238 0.95 LMNA (0.62) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL4920668 0.95 LMNA (0.62) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL3090810 0.95 LMNA (0.62) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL308119 0.95 LMNA (0.54) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL11074411 0.95 LMNA (0.61) LMNAALDH1A1TSHRHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888030-B2 Advances in amination HUNTSMAN PETROCHEMICAL CORPORATION (US) 2005-05-03 US disclosed
US-20030078344-A1 Advances in amination HUNTSMAN PETROCHEMICAL CORPORATION 2003-04-24 US disclosed