SCHEMBL9688255

SCHEMBL9688255

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NR3C1 P04150 7/20 0.51
HIF1A Q16665 8/20 0.51
CYP3A4 P08684 8/20 0.51
HSD17B10 Q99714 4/20 0.51
PGR P06401 4/20 0.51
NFKB1 P19838 3/20 0.51
CYP2C9 P11712 3/20 0.51
PMP22 Q01453 2/20 0.51
CYP2J2 P51589 1/20 0.51
BLM P54132 1/20 0.51
CYP2C19 P33261 1/20 0.51
AR P10275 3/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 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
SCHEMBL9688260 1.00 LMNA (0.55) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407747 0.85 LMNA (0.57) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11322766 0.85 LMNA (0.58) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11322772 0.85 LMNA (0.58) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11649802 0.84 LMNA (0.62) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11649809 0.84 LMNA (0.62) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11649806 0.84 LMNA (0.62) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11419766 0.84 PGR (0.51) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407499 0.84 LMNA (0.64) LMNASMN1; SMN2NR3C1HIF1ACYP3A4
SCHEMBL11407501 0.84 LMNA (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082835-A Antiinflammatory agents RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-01-21 US disclosed
US-5053404-A Antiinflammatory and antiasthmatic agents RICHTER GEDEON VEGYESZETI GYAR R. T. (HU) 1991-10-01 US disclosed
EP-0387091-A2 Steroid diols, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-09-12 EP disclosed