SCHEMBL11023737

SCHEMBL11023737

CCC(=O)OC1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.60
LMNA P02545 6/20 0.60
MAPT P10636 5/20 0.60
CYP2C9 P11712 3/20 0.60
TSHR P16473 3/20 0.60
NR1I2 O75469 3/20 0.60
NR3C1 P04150 2/20 0.60
PGR P06401 2/20 0.60
AR P10275 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP17A1 P05093 1/20 0.60
OPRK1 P41145 1/20 0.60
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
SERPINA6 P08185 4/20 0.58
MAPK1 P28482 3/20 0.58
HIF1A Q16665 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ABCB11 O95342 2/20 0.58

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
SCHEMBL28255051 0.93 CYP3A4 (0.59) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL2561836 0.93 CYP3A4 (0.56) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL2042111 0.93 CYP3A4 (0.58) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL571134 0.92 CYP19A1 (0.61) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL976275 0.91 CYP3A4 (0.56) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL28284658 0.91 CYP3A4 (0.56) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL18343938 0.91 LMNA (0.61) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL10893814 0.90 ALDH1A1 (0.62) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL220822 0.90 ALDH1A1 (0.62) CYP3A4LMNAMAPTCYP2C9TSHR
SCHEMBL9360183 0.90 CYP3A4 (0.62) CYP3A4LMNAMAPTCYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108822309-B Preparation method of nanofiber/microemulsion composite hydrogel with slow release performance 南京林业大学 2021-11-09 CN claimed
EP-0054786-B1 6-ALPHA-METHYL HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-20 EP claimed
CN-115245500-A Phagocyte membrane-coated drug delivery system prepared by low-temperature quick-freezing method 温州医科大学 2022-10-28 CN disclosed
CN-108822309-B Preparation method of nanofiber/microemulsion composite hydrogel with slow release performance 南京林业大学 2021-11-09 CN disclosed
US-20140335193-A1 CONTROLLED-RELEASE INJECTABLE MICROPARTICLE CONICET - CONS. NAC. DE INVESTIGACIONES CIENTIFICAS Y TECNICAS (AR) 2014-11-13 US disclosed