SCHEMBL9487612

SCHEMBL9487612

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.78
▸ HIF1A Q16665 6/20 0.78
▸ NR3C1 P04150 9/20 0.74
▸ LMNA P02545 4/20 0.74
▸ CYP3A4 P08684 3/20 0.74
▸ USP2 O75604 1/20 0.74
▸ CYP2D6 P10635 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ ABCB11 O95342 2/20 0.64
▸ NR1I2 O75469 2/20 0.64
▸ ABCC3 O15438 1/20 0.64
▸ AR P10275 4/20 0.63
▸ CHRM1 P11229 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ SERPINA6 P08185 2/20 0.63
▸ TNF P01375 1/20 0.63
▸ IL6 P05231 1/20 0.63
▸ NR3C2 P08235 1/20 0.63
▸ GLUL P15104 1/20 0.63
▸ ADAM17 P78536 1/20 0.63

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
SCHEMBL2299113 1.00 PGR (0.78) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL5602237 0.93 PGR (0.80) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL5602245 0.93 PGR (0.80) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11429938 0.93 PGR (0.75) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL10940461 0.93 PGR (0.72) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL10940470 0.93 PGR (0.72) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL2252725 0.92 NR3C1 (0.75) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL18971498 0.92 PGR (0.66) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL6859003 0.91 NR3C1 (0.73) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL6859007 0.91 NR3C1 (0.73) PGRHIF1ANR3C1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256095-A4 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-09-28 — — EP claimed
US-4762919-A STEROIDS FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1988-08-09 — — US claimed
EP-0256095-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-02-24 — — EP claimed
WO-1987005028-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1987-08-27 — — WO claimed
EP-0256095-B1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1993-05-19 — — EP disclosed
US-5200518-A Reduced side effcts KANGWEON NATIONAL UNIVERSITY (KR) 1993-04-06 — — US disclosed
US-4762919-A STEROIDS FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1988-08-09 — — US disclosed
US-4290963-A HEATING ONE OF THE PREGNANE SERIES SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-22 — — US disclosed
US-4036831-A Trimethyl siloxane steroid intermediates STEROID DEVELOPMENT COMPANY ESTABLISHMENT (CH) 1977-07-19 — — US disclosed
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