SCHEMBL3046233

SCHEMBL3046233

C=C1C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.59
AR P10275 3/20 0.59
CYP3A4 P08684 2/20 0.59
CHRM1 P11229 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP2C19 P33261 1/20 0.59
TBXA2R P21731 1/20 0.59
ADRA1A P35348 1/20 0.59
CYP19A1 P11511 6/20 0.58
TDP1 Q9NUW8 3/20 0.58
NR3C1 P04150 3/20 0.58
LMNA P02545 3/20 0.58
PDE4D Q08499 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CHRM2 P08172 1/20 0.57
OPRK1 P41145 1/20 0.57
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
ABCB11 O95342 1/20 0.43

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
SCHEMBL3934288 0.84 MEN1 (0.70) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL3934282 0.84 MEN1 (0.70) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL3939910 0.84 PGR (0.67) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL3939914 0.84 PGR (0.67) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL10868391 0.81 LMNA (0.72) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL1650395 0.81 LMNA (0.72) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL144436 0.81 LMNA (0.72) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL8642981 0.81 CYP19A1 (0.70) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL11789347 0.81 CYP19A1 (0.70) PGRARCYP3A4CHRM1ALDH1A1
SCHEMBL11788230 0.81 PGR (0.63) PGRARCYP3A4CHRM1ALDH1A1

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-20100028360-A1 METHODS FOR THE MODULATION OF BRAIN PROGESTAGEN SIGNALING IN THE PREVENTION AND TREATMENT OF NEUROLOGICAL DISORDERS AND NEURODEGENERATIVE DISEASES ATWOOD CRAIG STEPHEN 2010-02-04 US disclosed