SCHEMBL7533189

SCHEMBL7533189

COC1CC(C(=O)O)CC(OC)C1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.34
▸ CYP2C19 P33261 2/20 0.32
▸ GABRR1 P24046 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30

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
SCHEMBL3448078 0.80 APLNR (0.33) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL3490671 0.80 APLNR (0.33) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL3395554 0.80 APLNR (0.33) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL3488947 0.80 APLNR (0.33) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL2410128 0.80 APLNR (0.33) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL3395557 0.80 APLNR (0.33) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL19408614 0.80 GABRR1 (0.41) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL17689720 0.80 CHRNB2 (0.48) —
SCHEMBL6407214 0.80 SMN1; SMN2 (0.33) —
SCHEMBL22185217 0.77 APLNR (0.34) APLNRCYP2C19GABRR1CYP1A2CYP2D6

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
EP-0885184-B1 PERFLUORO(ALKOXYCYCLOALKANE)CARBONYL FLUORIDE COMPOSITIONS AND THEIR USE MINNESOTA MINING & MFG (US) 2002-04-24 — — EP disclosed
US-6110976-A AS CHEMICAL INTERMEDIATES FOR PREPARING SURFACTATNTS, IN AQUEOUS FILM-FORMING FOAM SOLUTIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-08-29 — — US disclosed
EP-0885184-A1 PERFLUORO(ALKOXYCYCLOALKANE)CARBONYL FLUORIDE COMPOSITIONS AND THEIR USE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-23 — — EP disclosed
US-5756000-A WATER SOLUBLE, FLUORINE-FREE SURFACTANTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-05-26 — — US disclosed
WO-1997029070-A1 PERFLUORO(ALKOXYCYCLOALKANE)CARBONYL FLUORIDE COMPOSITIONS AND THEIR USE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-14 — — WO disclosed
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