SCHEMBL19338147

SCHEMBL19338147

CC1(C)C(=O)CCC2(C)C1CCC1(C)C2CCC2[C@H]3CCCC3(C=O)CC[C@]21C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NT5E P21589 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
PTPN1 P18031 7/20 0.44
ACP1 P24666 2/20 0.44
PTPRF P10586 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTPN2 P17706 2/20 0.37
CES2 O00748 3/20 0.37
CES1 P23141 1/20 0.37
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
NR1H4 Q96RI1 5/20 0.35
IL1B P01584 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL14345254 1.00 LMNA (0.48) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL14345996 1.00 LMNA (0.48) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL18688129 0.87 LMNA (0.47) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL13759951 0.83 LMNA (0.52) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL13759952 0.83 LMNA (0.52) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL21149779 0.81 LMNA (0.53) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL19338168 0.81 LMNA (0.50) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL15202809 0.81 GPBAR1 (0.50) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL17761431 0.81 GPBAR1 (0.50) LMNASMN1; SMN2NT5EGPBAR1PTPN1
SCHEMBL13403269 0.81 GPBAR1 (0.50) LMNASMN1; SMN2NT5EGPBAR1PTPN1

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-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed