SCHEMBL11244016

SCHEMBL11244016

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21CCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 8/20 0.65
▸ NR3C1 P04150 5/20 0.65
▸ PGR P06401 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ HTR2B P41595 1/20 0.65
▸ LMNA P02545 8/20 0.64
▸ SERPINA6 P08185 7/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ BLM P54132 4/20 0.64
▸ CYP2C19 P33261 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ ADORA3 P0DMS8 1/20 0.64
▸ MAPK3 P27361 1/20 0.64
▸ SLC6A3 Q01959 1/20 0.64
▸ HSD17B10 Q99714 7/20 0.60
▸ TSHR P16473 5/20 0.60
▸ CYP19A1 P11511 4/20 0.60

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
SCHEMBL30171328 0.88 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL13146616 0.88 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A
Spriolactone SCHEMBL30112125 0.85 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
Spriolactone SCHEMBL8259555 0.85 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
Spriolactone SCHEMBL20459223 0.85 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
Spriolactone SCHEMBL10786113 0.85 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
Spriolactone SCHEMBL18218188 0.85 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
Spriolactone SCHEMBL14285054 0.85 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
Spriolactone SCHEMBL8260326 0.85 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL12085097 0.83 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371238-A1 THERMOFORMABLE DUAL NETWORK HYDROGEL COMPOSITIONS Lubrizol Advanced Materials, Inc. (US) 2018-09-12 — — EP disclosed
WO-2017079248-A1 THERMOFORMABLE DUAL NETWORK HYDROGEL COMPOSITIONS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2017-05-11 — — WO disclosed
US-4317817-A SKIN DISORDERS; ACEME; ENZYME INHIBITORS RICHARDSON-MERRELL INC. (US) 1982-03-02 — — US disclosed
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