SCHEMBL5672145

SCHEMBL5672145

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
CYP19A1 P11511 12/20 0.47
CYP3A4 P08684 1/20 0.47
NR3C1 P04150 2/20 0.47
HIF1A Q16665 1/20 0.45
NR1I2 O75469 1/20 0.45
PGR P06401 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL7877720 1.00 LMNA (0.52) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL3396581 0.93 LMNA (0.51) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL15994233 0.91 LMNA (0.51) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL8587966 0.91 LMNA (0.54) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL6521590 0.86 LMNA (0.44) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL1847854 0.86 LMNA (0.44) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL8661015 0.86 LMNA (0.44) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL7204662 0.84 LMNA (0.51) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL18662883 0.84 LMNA (0.52) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL4807382 0.84 LMNA (0.59) LMNAMAPTCYP19A1CYP3A4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006011148-A2 NOVEL CRYSTALLINE FORMS OF 6ALPHA, 9ALPHA-DIFLUORO-11BETA HYDROXY-16ALPHA-METHYL-3-OXO-17ALPHA-PROPIONYLOXY-ANDROSTA-1,4-DIENE-17BETA-CARBOXYLIC ACID AND PROCESSES FOR PREPARATION THEREOF CHEMAGIS LTD. (IL) 2006-02-02 WO disclosed
EP-1611149-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES Alpharma APS (DK) 2006-01-04 EP disclosed
EP-1534733-A2 CONVENIENT SYNTHESIS OF S-FLUOROMETHYL 6ALPHA, 9ALPHA-DIFLUORO-11BETA-HYDROXY-16ALPHA- METHYL-17ALPHA-PROPIONYLOXY-3-OXOANDROSTA-1, 4-DIENE-17BETA-CARBOTHIOATE Sun Pharmaceuticals Industries Ltd. (IN) 2005-06-01 EP disclosed
WO-2004087731-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES ALPHARMA APS (DK) 2004-10-14 WO disclosed
WO-2004001369-A2 CONVENIENT SYNTHESIS OF S-FLUOROMETHYL 6ALPHA, 9ALPHA-DIFLUORO-11BETA-HYDROXY-16ALPHA- METHYL-17ALPHA-PROPIONYLOXY-3-OXOANDROSTA-1, 4-DIENE-17BETA-CARBOTHIOATE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-12-31 WO disclosed
EP-1133285-A1 A PROCESS FOR PRODUCING PARTICLES WITH A CONVERTED AMORPHOUS AND/OR META-STABLE CRYSTALLINE REGION INTO CRYSTALLINE STATE AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000030614-A1 A PROCESS FOR PRODUCING PARTICLES WITH A CONVERTED AMORPHOUS AND/OR META-STABLE CRYSTALLINE REGION INTO CRYSTALLINE STATE ASTRAZENECA AB (SE) 2000-06-02 WO disclosed