SCHEMBL6013906

SCHEMBL6013906

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@]2(C)C(=CCO)CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.59
NR3C2 P08235 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
SERPINA6 P08185 4/20 0.59
LMNA P02545 4/20 0.59
SHBG P04278 3/20 0.59
HSD17B10 Q99714 3/20 0.59
MAPT P10636 2/20 0.59
CYP3A4 P08684 2/20 0.59
NFKB1 P19838 2/20 0.59
BLM P54132 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
SLC22A3 O75751 1/20 0.59
MAPK1 P28482 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59
SIGMAR1 Q99720 1/20 0.59

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
SCHEMBL11480876 1.00 HIF1A (0.59) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL9459018 1.00 HIF1A (0.59) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL30496663 1.00 HIF1A (0.59) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL3671489 1.00 HIF1A (0.59) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL3321767 0.88 SMN1; SMN2 (0.60) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL11154815 0.87 HIF1A (0.55) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL24722640 0.86 HIF1A (0.60) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL10627809 0.86 HIF1A (0.60) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL10627802 0.86 HIF1A (0.60) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA
SCHEMBL10627817 0.86 HIF1A (0.60) HIF1ANR3C2SMN1; SMN2SERPINA6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627030-A1 NITROGEN REJECTION FROM CONDENSED NATURAL GAS AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-02-22 EP claimed
WO-2004104143-A1 NITROGEN REJECTION FROM CONDENSED NATURAL GAS AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-12-02 WO claimed
WO-2004103376-A2 SKIN TREATMENTS UNILEVER PLC (GB) 2004-12-02 WO claimed
EP-0350488-B1 1,2-DEHYDROGENATION OF STEROIDAL 21-ESTERS WITH A. SIMPLEX THE UPJOHN COMPANY (US) 1993-09-08 EP claimed
US-4749649-A Microbial Δ1-dehydrogenation process using a scavenger of toxic oxygen THE UPJOHN COMPANY (US) 1988-06-07 US claimed
EP-0127294-B1 STEROID DEHYDROGENATION THE UPJOHN COMPANY (US) 1986-12-17 EP claimed
EP-0350488-B1 1,2-DEHYDROGENATION OF STEROIDAL 21-ESTERS WITH A. SIMPLEX THE UPJOHN COMPANY (US) 1993-09-08 EP disclosed
US-5225335-A Enzymatic dehydrogenation THE UPJOHN COMPANY (US) 1993-07-06 US disclosed
US-4749649-A Microbial Δ1-dehydrogenation process using a scavenger of toxic oxygen THE UPJOHN COMPANY (US) 1988-06-07 US disclosed
US-4704358-A Δ1 -dehydrogenation with heat or air-dried B. cyclooxidans THE UPJOHN COMPANY (US) 1987-11-03 US disclosed
EP-0127294-A1 Steroid dehydrogenation THE UPJOHN COMPANY (US) 1984-12-05 EP disclosed
US-4189430-A Epoxide process THE UPJOHN COMPANY (US) 1980-02-19 US disclosed
EP-0007766-A2 Epoxypregnadienes, hydroxypregnatrienes, process for their preparation and process for their conversion to precursors of useful anti-inflammatory agents THE UPJOHN COMPANY (US) 1980-02-06 EP disclosed