SCHEMBL10713526

SCHEMBL10713526

O=C(O)C1CCC(=NO)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.42
▸ GABRD O14764 3/20 0.42
▸ GABRA1 P14867 3/20 0.42
▸ GABRB1 P18505 3/20 0.42
▸ GABRG2 P18507 3/20 0.42
▸ GABRB3 P28472 3/20 0.42
▸ GABRA5 P31644 3/20 0.42
▸ GABRA3 P34903 3/20 0.42
▸ GABRA2 P47869 3/20 0.42
▸ GABRB2 P47870 3/20 0.42
▸ GABRA4 P48169 3/20 0.42
▸ GABRE P78334 3/20 0.42
▸ GABRA6 Q16445 3/20 0.42
▸ GABRG1 Q8N1C3 3/20 0.42
▸ GABRG3 Q99928 3/20 0.42
▸ GABRQ Q9UN88 3/20 0.42
▸ GABRR1 P24046 1/20 0.42
▸ PDK1 Q15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 2/20 0.33

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
SCHEMBL10712148 0.88 TSHR (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11260907 0.86 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10712733 0.81 — —
SCHEMBL23798668 0.71 BTK (0.38) GABRPGABRDGABRA1GABRB1GABRG2
Cyclohexanone Oxime SCHEMBL27858767 0.71 TSHR (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11788383 0.70 PPM1B (0.38) PDK1TSHR
SCHEMBL1666449 0.70 — —
SCHEMBL29883233 0.70 — —
SCHEMBL3295484 0.70 — —
SCHEMBL51838 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129947-B1 CONTRACEPTIVE COMPOSITIONS BASED ON ESTERS OF LEVO-NORGESTREL WORLD HEALTH ORGANISATION (CH) 1988-09-14 — — EP claimed
EP-0129947-A2 Contraceptive compositions based on esters of levo-norgestrel WORLD HEALTH ORGANISATION (CH) 1985-01-02 — — EP claimed
EP-0129947-B1 CONTRACEPTIVE COMPOSITIONS BASED ON ESTERS OF LEVO-NORGESTREL WORLD HEALTH ORGANISATION (CH) 1988-09-14 — — EP disclosed
EP-0129947-A2 Contraceptive compositions based on esters of levo-norgestrel WORLD HEALTH ORGANISATION (CH) 1985-01-02 — — EP disclosed
EP-0129947-A2 Contraceptive compositions based on esters of levo-norgestrel WORLD HEALTH ORGANISATION (CH) 1985-01-02 — — EP disclosed
US-3931288-A ANTIINFLAMMATORY, ANTIRHEUMATIC HOFFMANN-LA ROCHE INC. (US) 1976-01-06 — — US disclosed
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