SCHEMBL8939666

SCHEMBL8939666

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.73
MAPT P10636 2/20 0.73
CYP19A1 P11511 9/20 0.59
CYP3A4 P08684 1/20 0.59
HIF1A Q16665 2/20 0.50
MEN1 O00255 2/20 0.50
NR3C1 P04150 2/20 0.50
PGR P06401 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
ESR1 P03372 1/20 0.50
SHBG P04278 1/20 0.50
AR P10275 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC29A1 Q99808 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL10413157 0.89 LMNA (0.70) LMNAMAPTCYP19A1CYP3A4HIF1A
SCHEMBL11022179 0.89 LMNA (0.73) LMNAMAPTCYP19A1CYP3A4HIF1A
SCHEMBL10625104 0.89 LMNA (0.73) LMNAMAPTCYP19A1CYP3A4HIF1A
SCHEMBL8859812 0.89 LMNA (0.73) LMNAMAPTCYP19A1CYP3A4HIF1A
SCHEMBL3756860 0.86 LMNA (0.69) LMNAMAPTCYP19A1CYP3A4HSD17B10
Nitrous Acid SCHEMBL10866222 0.85 LMNA (0.67) LMNAMAPTCYP19A1CYP3A4HIF1A
SCHEMBL9623217 0.85 HSD17B10 (0.66) LMNAMAPTCYP19A1CYP3A4HIF1A
Methandrostenolone SCHEMBL4435272 0.84 LMNA (1.00) LMNAMAPTCYP19A1CYP3A4HIF1A
Methandrostenolone SCHEMBL16755284 0.84 LMNA (1.00) LMNAMAPTCYP19A1CYP3A4HIF1A
Methandrostenolone SCHEMBL21177905 0.84 LMNA (1.00) LMNAMAPTCYP19A1CYP3A4HIF1A

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-4474701-A Process for the separation of 4-androsten-3,17-dione and 1,4-androstadien-3,17-dione VEB JENAPHARM JENA (DD) 1984-10-02 US claimed
JP-8169897-A None JP disclosed
JP-H08169897-A NOVEL PRODUCTION OF 16 BETA-METHYL-STEROID AND NOVEL INTERMEDIATE ROUSSEL UCLAF 1996-07-02 JP disclosed
US-4474701-A Process for the separation of 4-androsten-3,17-dione and 1,4-androstadien-3,17-dione VEB JENAPHARM JENA (DD) 1984-10-02 US disclosed
US-4474701-A Process for the separation of 4-androsten-3,17-dione and 1,4-androstadien-3,17-dione VEB JENAPHARM JENA (DD) 1984-10-02 US disclosed