SCHEMBL8201270

SCHEMBL8201270

C[C@H]1C[C@@H]2C(=CC[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.57
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 8/20 0.48
HIF1A Q16665 7/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2C19 P33261 5/20 0.48
SERPINA6 P08185 4/20 0.48
LMNA P02545 3/20 0.48
SHBG P04278 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PMP22 Q01453 2/20 0.48
TSHR P16473 2/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP2D6 P10635 1/20 0.47
KCNA1 Q09470 1/20 0.47
SLC47A1 Q96FL8 1/20 0.47
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL8201277 1.00 NR3C1 (0.57) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL12265810 1.00 NR3C1 (0.57) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL11702398 0.92 NR3C1 (0.57) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL15144390 0.92 NR3C1 (0.57) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL11702404 0.92 NR3C1 (0.57) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL10412565 0.91 NR3C1 (0.56) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL15147191 0.90 NR3C1 (0.62) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL11314335 0.89 NR3C1 (0.56) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL17551149 0.89 NR3C1 (0.47) NR3C1KMT2AHSD17B10HIF1ACYP3A4
SCHEMBL13069733 0.89 NR3C1 (0.58) NR3C1KMT2AHSD17B10HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533703-B1 Use of steroids for the inhibition of angiogenesis ALCON LAB INC (US) 2000-03-15 EP claimed
EP-0350488-B1 1,2-DEHYDROGENATION OF STEROIDAL 21-ESTERS WITH A. SIMPLEX THE UPJOHN COMPANY (US) 1993-09-08 EP claimed
EP-0186948-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 17ALPHA-HYDROXYPROGESTERONES AND CORTICOIDS FROM AN ENOL STEROID THE UPJOHN COMPANY (US) 1989-01-25 EP claimed
EP-0186948-A1 Process and intermediates for the preparation of 17alpha-hydroxyprogesterones and corticoids from an enol steroid THE UPJOHN COMPANY (US) 1986-07-09 EP claimed
EP-0350488-B1 1,2-DEHYDROGENATION OF STEROIDAL 21-ESTERS WITH A. SIMPLEX THE UPJOHN COMPANY (US) 1993-09-08 EP disclosed
US-5225335-A Enzymatic dehydrogenation THE UPJOHN COMPANY (US) 1993-07-06 US disclosed
US-4613463-A Process and intermediates for the preparation of 17 alphahydroxyprogesterones and corticoids from an enol steroid THE UPJOHN COMPANY (US) 1986-09-23 US disclosed
EP-0186948-A1 Process and intermediates for the preparation of 17alpha-hydroxyprogesterones and corticoids from an enol steroid THE UPJOHN COMPANY (US) 1986-07-09 EP disclosed
US-4260464-A Process for the preparation of 17α-(3-iodobenzoyloxy)-9α-chloro-4-pregnene-3,20-diones and their D-homo homologs SCHERING AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
EP-0001737-B1 17-ALPHA-(3-IODOBENZOYLOXY)-9-ALPHA-CHLORO-4-PREGNENE-3.20-DIONES, THEIR D-HOMO ANALOGUES AND PROCESS FOR THEIR PREPARATION SCHERING AKTIENGESELLSCHAFT (DE) 1981-01-07 EP disclosed