SCHEMBL19338166

SCHEMBL19338166

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.66
LMNA P02545 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NT5E P21589 2/20 0.66
PTPN1 P18031 5/20 0.53
ACP1 P24666 2/20 0.53
PTPRF P10586 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
F3 P13726 1/20 0.48
PNLIP P16233 1/20 0.48
PTPN2 P17706 1/20 0.48
NOS2 P35228 1/20 0.48
USP7 Q93009 1/20 0.46
PRKCD Q05655 1/20 0.43
USP2 O75604 1/20 0.42
HIF1A Q16665 1/20 0.42
AKR1B10 O60218 1/20 0.42
ALB P02768 1/20 0.42
POLB P06746 1/20 0.42
GLI1 P08151 1/20 0.42

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
SCHEMBL14344859 1.00 GPBAR1 (0.66) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL10074445 0.88 GPBAR1 (0.57) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL18687847 0.86 GPBAR1 (0.65) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL25464092 0.83 USP7 (0.51) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL21149779 0.83 LMNA (0.53) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL12332942 0.83 GPBAR1 (0.75) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL13759952 0.82 LMNA (0.52) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL13759951 0.82 LMNA (0.52) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL19415286 0.82 LMNA (0.49) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL15947464 0.82 LMNA (0.49) GPBAR1LMNASMN1; SMN2NT5EPTPN1

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