SCHEMBL11322772

SCHEMBL11322772

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC=C(C(=O)C(=O)O)[C@@]3(C)C[C@H](O)C12F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NR3C1 P04150 8/20 0.57
HIF1A Q16665 9/20 0.54
CYP3A4 P08684 7/20 0.54
PGR P06401 5/20 0.54
HSD17B10 Q99714 4/20 0.54
NFKB1 P19838 3/20 0.54
CYP2C9 P11712 3/20 0.54
PMP22 Q01453 2/20 0.54
CYP2J2 P51589 1/20 0.54
BLM P54132 1/20 0.54
CYP2C19 P33261 1/20 0.54
AR P10275 3/20 0.53
NR1I2 O75469 2/20 0.53
ABCB11 O95342 1/20 0.53
CHRM1 P11229 1/20 0.53
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL11322766 1.00 LMNA (0.58) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11649802 0.90 LMNA (0.62) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11649806 0.90 LMNA (0.62) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11649809 0.90 LMNA (0.62) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407499 0.87 LMNA (0.64) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407501 0.87 LMNA (0.64) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407496 0.87 LMNA (0.64) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11525694 0.87 LMNA (0.63) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11834766 0.87 LMNA (0.63) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11525689 0.87 LMNA (0.63) LMNASMN1; SMN2NR3C1HIF1ACYP3A4

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-4257969-A ANTIINFLAMMATORY STEROIDS E. R. SQUIBB & SONS, INC. (US) 1981-03-24 US disclosed