SCHEMBL11852007

SCHEMBL11852007

C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@]2(C)[C@@]1(O)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.60
PGR P06401 7/20 0.60
HIF1A Q16665 4/20 0.60
HSD17B10 Q99714 3/20 0.60
ABCB11 O95342 3/20 0.60
CYP3A4 P08684 2/20 0.60
NR3C2 P08235 2/20 0.60
AR P10275 2/20 0.60
TNF P01375 1/20 0.60
IL6 P05231 1/20 0.60
SERPINA6 P08185 1/20 0.60
GLUL P15104 1/20 0.60
ADAM17 P78536 1/20 0.60
GPBAR1 Q8TDU6 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 3/20 0.57
NR1I2 O75469 2/20 0.57
CNR1 P21554 1/20 0.57
ABCC3 O15438 2/20 0.49
ABCC4 O15439 1/20 0.49

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
SCHEMBL11852002 1.00 NR3C1 (0.60) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL11686698 0.90 NR3C1 (0.58) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL11686707 0.90 NR3C1 (0.58) NR3C1PGRHIF1AHSD17B10ABCB11
Prednylidene SCHEMBL1650347 0.89 NR3C1 (0.70) NR3C1PGRHIF1AHSD17B10ABCB11
Prednylidene SCHEMBL7568 0.89 NR3C1 (0.70) NR3C1PGRHIF1AHSD17B10ABCB11
Prednylidene SCHEMBL3291132 0.89 NR3C1 (0.70) NR3C1PGRHIF1AHSD17B10ABCB11
Prednylidene SCHEMBL19327135 0.89 NR3C1 (0.70) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL11691134 0.89 NR3C1 (0.58) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL11691125 0.89 NR3C1 (0.58) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL11846698 0.89 NR3C1 (0.61) NR3C1PGRHIF1AHSD17B10ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984544-A Retinoic acid esters of steroids of the pregnane series, their use in the treatment of acne and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1976-10-05 US disclosed