SCHEMBL9018738

SCHEMBL9018738

CC(=O)OC1(OC(C)=O)CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OSBP P22059 3/20 0.66
USP2 O75604 2/20 0.66
CYP46A1 Q9Y6A2 2/20 0.66
LMNA P02545 1/20 0.66
ABCB1 P08183 1/20 0.66
RORC P51449 1/20 0.66
OSBP2 Q969R2 1/20 0.66
POLA1 P09884 1/20 0.64
GRIN1 Q05586 10/20 0.58
GRIN2B Q13224 9/20 0.58
GRIN2A Q12879 8/20 0.57
SRD5A1 P18405 2/20 0.56
NR1H3 Q13133 1/20 0.56

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
SCHEMBL10825219 0.93 GRIN1 (0.66) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL9394607 0.91 USP2 (0.57) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL10930823 0.90 USP2 (0.65) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL10929495 0.90 USP2 (0.65) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL10929500 0.90 USP2 (0.65) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL11674771 0.87 POLA1 (0.68) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL27584885 0.86 OSBP (0.59) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL27963054 0.86 USP2 (0.68) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL6060845 0.86 USP2 (0.68) OSBPUSP2CYP46A1LMNAABCB1
SCHEMBL27963051 0.86 USP2 (0.68) OSBPUSP2CYP46A1LMNAABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749437-A1 STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR PHARMACEUTICAL USES MAGAININ PHARMACEUTICALS INC. (US) 1996-12-27 EP disclosed
EP-0688333-A1 STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS ANTIBIOTICS OR DISINFECTANTS MAGAININ PHARMACEUTICALS INC. (US) 1995-12-27 EP disclosed
WO-1995024415-A1 STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR PHARMACEUTICAL USES MAGAININ PHARMACEUTICALS INC. (US) 1995-09-14 WO disclosed
WO-1994020520-A1 STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS ANTIBIOTICS OR DISINFECTANTS MAGAININ PHARMACEUTICALS INC. (US) 1994-09-15 WO disclosed