Sugi Predict

Sugi Predict / Compounds / SCHEMBL7815255

SCHEMBL7815255

SCHEMBL7815255

CC1(C)OC(=O)C2=C(CCCCCC2)O1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTPN1 P18031 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL11830416 0.94 LMNA (0.42) LMNAHSD17B10PTPN1ALDH1A1
SCHEMBL2499788 0.71 LMNA (0.52) LMNAHSD17B10PTPN1ALDH1A1
SCHEMBL7349652 0.71 NPSR1 (0.37) ALDH1A1
SCHEMBL2803375 0.68 LMNA (0.53) LMNAHSD17B10PTPN1ALDH1A1
SCHEMBL9730908 0.67 — —
SCHEMBL10615649 0.64 LMNA (0.31) LMNAHSD17B10
SCHEMBL11833621 0.64 LMNA (0.37) LMNAHSD17B10PTPN1ALDH1A1
SCHEMBL2804681 0.64 LMNA (0.53) LMNAHSD17B10PTPN1ALDH1A1
SCHEMBL13055682 0.63 LMNA (0.52) LMNAHSD17B10PTPN1ALDH1A1
SCHEMBL23915605 0.62 GRIN2D (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 — — EP disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 — — US disclosed