SCHEMBL7884191

SCHEMBL7884191

C=C(C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.61
CYP3A4 P08684 7/20 0.56
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 4/20 0.56
MAPK1 P28482 3/20 0.56
SERPINA6 P08185 3/20 0.56
CYP2C9 P11712 2/20 0.56
TSHR P16473 2/20 0.56
HIF1A Q16665 2/20 0.56
ABCB11 O95342 2/20 0.56
SHBG P04278 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 2/20 0.56
PGR P06401 2/20 0.56
AR P10275 2/20 0.56
CHRM1 P11229 2/20 0.56
ADRA1A P35348 2/20 0.56
KMT2A Q03164 2/20 0.56

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
SCHEMBL37618 0.90 CYP3A4 (0.70) CYP19A1CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL7875309 0.88 CYP19A1 (0.61) CYP19A1CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL7875311 0.88 CYP19A1 (0.61) CYP19A1CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL11754343 0.83 CYP3A4 (0.69) CYP19A1CYP3A4LMNAMAPTMAPK1
SCHEMBL2600423 0.83 CYP3A4 (0.69) CYP19A1CYP3A4LMNAMAPTMAPK1
SCHEMBL11754338 0.83 CYP3A4 (0.69) CYP19A1CYP3A4LMNAMAPTMAPK1
SCHEMBL13845093 0.83 CYP3A4 (0.81) CYP19A1CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL18708949 0.83 CYP3A4 (0.81) CYP19A1CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL7520546 0.82 CYP19A1 (0.68) CYP19A1CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL7884266 0.82 CYP19A1 (0.68) CYP19A1CYP3A4ALDH1A1SMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331534-B1 ADMINISTERING EFFECTIVE AMOUNT OF STEROID WITHIN NASAL PASSAGE OF INDIVIDUAL SUCH THAT IT BINDS SPECIFICALLY TO RECEPTORS ON SURFACE OF NASAL NEUROEPITHELIAL CELLS IN VOMERONASAL ORGAN PHERIN PHARMACEUTICALS, INC. 2001-12-18 US disclosed
US-6117860-A NASALLY ADMINISTERING STEROID WHICH BINDS TO A SPECIFIC NEUROEPITHELIAL RECEPTOR FOR ALLEVIATING PREMENSTRUAL TENSION AND ANXIETY PHERIN PHARMACEUTICALS, INC. (US) 2000-09-12 US disclosed
US-6066627-A ALTERING BLOOD CONCNETRATION OF LUTEINIZING HORMONE PHERIN CORPORATION (US) 2000-05-23 US disclosed
US-6057439-A EPOXYSTEROIDS PHERIN CORPORATION (US) 2000-05-02 US disclosed
US-5994333-A NASAL ADMINISTERING PHERIN CORPORATION (US) 1999-11-30 US disclosed