SCHEMBL9943274

SCHEMBL9943274

C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.66
LMNA P02545 7/20 0.66
ALDH1A1 P00352 6/20 0.66
HSD17B10 Q99714 6/20 0.66
SHBG P04278 6/20 0.66
CYP19A1 P11511 6/20 0.66
TSHR P16473 6/20 0.66
MAPK1 P28482 5/20 0.66
SERPINA6 P08185 5/20 0.66
PMP22 Q01453 4/20 0.66
NPSR1 Q6W5P4 4/20 0.66
SNCA P37840 4/20 0.66
BLM P54132 3/20 0.66
HSD17B3 P37058 2/20 0.66
NR3C1 P04150 6/20 0.65
PGR P06401 6/20 0.65
CYP3A4 P08684 6/20 0.65
AR P10275 5/20 0.65
MAPT P10636 4/20 0.65
NR1I2 O75469 3/20 0.65

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
SCHEMBL9943275 1.00 SMN1; SMN2 (0.66) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL930379 0.88 SMN1; SMN2 (0.73) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL930380 0.88 SMN1; SMN2 (0.73) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL17301638 0.86 SMN1; SMN2 (0.82) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL17368655 0.86 SMN1; SMN2 (0.82) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL14193763 0.86 SMN1; SMN2 (0.82) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL1041811 0.86 CYP19A1 (0.62) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL13327486 0.86 SMN1; SMN2 (0.70) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL22476664 0.84 CYP19A1 (0.77) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG
SCHEMBL22704745 0.84 CYP19A1 (0.77) SMN1; SMN2LMNAALDH1A1HSD17B10SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297177-B1 C-RING-SUBSTITUTED PREGN-4-ENE-21,17-CARBOLACTONE, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE LATTER Bayer Pharma AG (DE) 2012-06-20 EP disclosed
EP-0402963-A2 17-Alpha ethynyl steroids THE UPJOHN COMPANY (US) 1990-12-19 EP disclosed
US-4614621-A Ethynylation of 16-methylene-17-keto steroids THE UPJOHN COMPANY (US) 1986-09-30 US disclosed
EP-0179496-A1 16-Sulfinylmethyl-steroids, their preparation and use THE UPJOHN COMPANY (US) 1986-04-30 EP disclosed
US-4567001-A 16-Methylene-17α-hydroxy-progesterones THE UPJOHN COMPANY (US) 1986-01-28 US disclosed
EP-0148616-A2 Stabilised monolithium acetylide and the ethynylation of steroids THE UPJOHN COMPANY (US) 1985-07-17 EP disclosed
US-4526720-A Process to prepare stabilized monolithium acetylide THE UPJOHN COMPANY (US) 1985-07-02 US disclosed
EP-0104054-A2 16-methylene-steroids and their preparation THE UPJOHN COMPANY (US) 1984-03-28 EP disclosed