SCHEMBL15947464

SCHEMBL15947464

CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5CCC[C@]5(C(=O)OCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GPBAR1 Q8TDU6 2/20 0.49
NT5E P21589 1/20 0.49
PTPN1 P18031 3/20 0.43
ACP1 P24666 2/20 0.43
PTPRF P10586 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F3 P13726 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
SCHEMBL19415286 1.00 LMNA (0.49) LMNASMN1; SMN2GPBAR1NT5EPTPN1
SCHEMBL15917739 0.86 GPBAR1 (0.53) LMNASMN1; SMN2GPBAR1NT5EPTPN1
SCHEMBL18513782 0.86 GPBAR1 (0.53) LMNASMN1; SMN2GPBAR1NT5EPTPN1
SCHEMBL12593295 0.85 PTPN1 (0.57) LMNAGPBAR1PTPN1F3
SCHEMBL15947465 0.85 PTPN1 (0.57) LMNAGPBAR1PTPN1F3
SCHEMBL9108482 0.84 GPBAR1 (0.52) LMNASMN1; SMN2GPBAR1NT5E
SCHEMBL9109676 0.84 GPBAR1 (0.52) LMNASMN1; SMN2GPBAR1NT5E
SCHEMBL22251647 0.84 GPBAR1 (0.52) LMNASMN1; SMN2GPBAR1NT5E
SCHEMBL9108815 0.84 GPBAR1 (0.72) LMNASMN1; SMN2GPBAR1NT5E
SCHEMBL9110103 0.84 GPBAR1 (0.72) LMNASMN1; SMN2GPBAR1NT5E

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-2014123889-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 WO disclosed