SCHEMBL10712148

SCHEMBL10712148

O=C(O)C1CCCC(=NO)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ GABRP O00591 3/20 0.36
▸ GABRD O14764 3/20 0.36
▸ GABRA1 P14867 3/20 0.36
▸ GABRB1 P18505 3/20 0.36
▸ GABRG2 P18507 3/20 0.36
▸ GABRB3 P28472 3/20 0.36
▸ GABRA5 P31644 3/20 0.36
▸ GABRA3 P34903 3/20 0.36
▸ GABRA2 P47869 3/20 0.36
▸ GABRB2 P47870 3/20 0.36
▸ GABRA4 P48169 3/20 0.36
▸ GABRE P78334 3/20 0.36
▸ GABRA6 Q16445 3/20 0.36
▸ GABRG1 Q8N1C3 3/20 0.36
▸ GABRG3 Q99928 3/20 0.36
▸ GABRQ Q9UN88 3/20 0.36
▸ GABRR1 P24046 1/20 0.36
▸ SLC6A1 P30531 2/20 0.35

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
SCHEMBL10713526 0.88 GABRP (0.42) TSHRCASP1GABRPGABRDGABRA1
Cyclohexanone Oxime SCHEMBL27858767 0.80 TSHR (0.56) TSHRCASP1GABRPGABRDGABRA1
SCHEMBL10712733 0.78 — —
SCHEMBL11792080 0.78 SMN1; SMN2 (0.39) TSHRCASP1SMN1; SMN2POLBTP53
SCHEMBL11260907 0.74 GABRP (0.45) TSHRCASP1GABRPGABRDGABRA1
SCHEMBL15043867 0.72 THRB (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL535720 0.72 THRB (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3934728 0.72 THRB (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL16731182 0.71 SLC6A1 (0.38) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL22100988 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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