SCHEMBL11649802

SCHEMBL11649802

CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NR3C1 P04150 8/20 0.56
HIF1A Q16665 9/20 0.55
CYP3A4 P08684 7/20 0.55
HSD17B10 Q99714 4/20 0.55
PGR P06401 4/20 0.55
CYP2C9 P11712 3/20 0.55
NFKB1 P19838 3/20 0.55
PMP22 Q01453 2/20 0.55
CYP2J2 P51589 1/20 0.55
BLM P54132 1/20 0.55
CYP2C19 P33261 1/20 0.55
AR P10275 3/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
CHRM1 P11229 1/20 0.55
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL11649809 1.00 LMNA (0.62) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11649806 1.00 LMNA (0.62) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11322772 0.90 LMNA (0.58) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11322766 0.90 LMNA (0.58) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407501 0.89 LMNA (0.64) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407499 0.89 LMNA (0.64) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407496 0.89 LMNA (0.64) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11834766 0.88 LMNA (0.63) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11525689 0.88 LMNA (0.63) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11525694 0.88 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113722-A Steroidal[16α,17-b]benzodioxins E. R. SQUIBB & SONS, INC. (US) 1978-09-12 US disclosed
US-3976638-A STEROID, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-08-24 US disclosed