SCHEMBL11311598

SCHEMBL11311598

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.68
▸ AR P10275 4/20 0.68
▸ HIF1A Q16665 9/20 0.67
▸ CYP3A4 P08684 8/20 0.67
▸ NR3C1 P04150 5/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ ABCB11 O95342 3/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ KMT2A Q03164 2/20 0.60
▸ HSD17B10 Q99714 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SHBG P04278 1/20 0.50
▸ SERPINA6 P08185 1/20 0.50
▸ NR3C2 P08235 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 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
SCHEMBL11311611 1.00 PGR (0.68) PGRARHIF1ACYP3A4NR3C1
SCHEMBL11313619 1.00 PGR (0.68) PGRARHIF1ACYP3A4NR3C1
SCHEMBL8499707 0.92 HIF1A (0.68) PGRARHIF1ACYP3A4NR3C1
SCHEMBL8499697 0.92 HIF1A (0.68) PGRARHIF1ACYP3A4NR3C1
SCHEMBL10891069 0.91 HIF1A (0.64) PGRARHIF1ACYP3A4NR3C1
SCHEMBL10427927 0.91 HIF1A (0.64) PGRARHIF1ACYP3A4NR3C1
SCHEMBL20709783 0.91 HIF1A (0.64) PGRARHIF1ACYP3A4NR3C1
SCHEMBL10891061 0.91 HIF1A (0.64) PGRARHIF1ACYP3A4NR3C1
SCHEMBL11432685 0.90 HIF1A (0.58) PGRARHIF1ACYP3A4NR3C1
SCHEMBL9627202 0.90 HIF1A (0.59) PGRARHIF1ACYP3A4NR3C1

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-4273770-A CORTICOIDS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1981-06-16 — — US disclosed
EP-0004773-B1 17-BETA-THIOCARBOXYLIC ACID ESTERS OF 4-HALO-3-OXOANDROST-4-ENES, THEIR PHARMACEUTICAL USE AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1981-04-29 — — EP disclosed
US-4246346-A ACTIVATING THE IMMOBILIZED MICROORGANISMS BY ADDING PEPTONE OR GLUCOSE TO THE REACTION MIXTURE AKTIEBOLAGET FERMENTA (SE) 1981-01-20 — — US disclosed
EP-0004773-A2 17-Beta-thiocarboxylic acid esters of 4-halo-3-oxoandrost-4-enes, their pharmaceutical use and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1979-10-17 — — EP disclosed
US-3956349-A TRIETHYL ORTHOACETATE, ACID CATALYST SYNTEX (U.S.A.) INC. (US) 1976-05-11 — — US disclosed
Send feedback