SCHEMBL11038018

SCHEMBL11038018

CC(=O)OCC(=O)[C@@]1(O)C(C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
FNTA P49354 3/20 0.58
FNTB P49356 3/20 0.58
NR3C1 P04150 6/20 0.57
HIF1A Q16665 5/20 0.57
PGR P06401 4/20 0.57
HSD17B10 Q99714 3/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
SLC29A1 Q99808 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CNR1 P21554 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP3A4 P08684 1/20 0.57
TBXA2R P21731 1/20 0.57
ABCB11 O95342 1/20 0.55
AR P10275 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL11038015 1.00 KMT2A (0.72) KMT2AFNTAFNTBNR3C1HIF1A
SCHEMBL11038901 1.00 KMT2A (0.72) KMT2AFNTAFNTBNR3C1HIF1A
Meprednisone SCHEMBL19327148 0.88 HSD17B10 (0.70) KMT2AFNTAFNTBNR3C1HIF1A
Meprednisone SCHEMBL20856991 0.88 HSD17B10 (0.70) KMT2AFNTAFNTBNR3C1HIF1A
Meprednisone SCHEMBL5483442 0.88 HSD17B10 (0.70) KMT2AFNTAFNTBNR3C1HIF1A
Meprednisone SCHEMBL11846862 0.88 HSD17B10 (0.70) KMT2AFNTAFNTBNR3C1HIF1A
Meprednisone SCHEMBL9512 0.88 HSD17B10 (0.70) KMT2AFNTAFNTBNR3C1HIF1A
SCHEMBL12396812 0.88 KMT2A (0.56) KMT2AFNTAFNTBNR3C1HIF1A
SCHEMBL11689686 0.87 KMT2A (0.71) KMT2AFNTAFNTBNR3C1HIF1A
SCHEMBL25932838 0.86 NR3C1 (0.60) KMT2AFNTAFNTBNR3C1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057401-B1 AROMATIC HETEROCYCLIC ESTERS OF STEROIDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-08-01 EP disclosed
US-4124707-A 7α-Halogeno-3,20-dioxo-1,4-pregnadienes, methods for their manufacture, their use as anti-inflammatory agents, and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1978-11-07 US disclosed