SCHEMBL11511136

SCHEMBL11511136

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.78
SMN1; SMN2 Q16637 6/20 0.78
NR3C1 P04150 5/20 0.78
CYP3A4 P08684 5/20 0.78
PGR P06401 4/20 0.78
MAPT P10636 3/20 0.78
MEN1 O00255 2/20 0.78
ADORA3 P0DMS8 2/20 0.78
SLC6A3 Q01959 2/20 0.78
KMT2A Q03164 2/20 0.78
HIF1A Q16665 2/20 0.78
NPSR1 Q6W5P4 2/20 0.78
HPGD P15428 1/20 0.78
MLNR O43193 1/20 0.78
NR1I2 O75469 1/20 0.78
HTT P42858 1/20 0.78
PDE4D Q08499 1/20 0.78
PDE3A Q14432 1/20 0.78
AR P10275 2/20 0.76
SHBG P04278 5/20 0.64

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
SCHEMBL6801424 0.92 AR (0.82) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL571389 0.91 LMNA (0.77) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL11510015 0.91 LMNA (0.77) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL11510625 0.91 LMNA (0.77) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL11513688 0.91 LMNA (0.85) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL20101055 0.90 NR3C1 (0.88) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL260024 0.90 SMN1; SMN2 (0.74) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL29766827 0.90 SMN1; SMN2 (0.74) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL13941349 0.90 SMN1; SMN2 (0.74) LMNASMN1; SMN2NR3C1CYP3A4PGR
SCHEMBL27048175 0.90 SMN1; SMN2 (0.74) LMNASMN1; SMN2NR3C1CYP3A4PGR

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-4177269-A ANTITUMOR AGENTS AKTIEBOLAGET LEO (SE) 1979-12-04 US disclosed