Sugi Predict

Sugi Predict / Compounds / SCHEMBL2979522

SCHEMBL2979522

SCHEMBL2979522

CCCCCCCCC1CCCOC1=O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ EPHX1 P07099 1/20 0.43

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
SCHEMBL8999804 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2976999 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2964958 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL368248 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2971445 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2966100 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2945488 0.98 CYP1A2 (0.49) CYP1A2EPHX1
SCHEMBL25200172 0.95 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL486920 0.95 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL28396829 0.95 CYP1A2 (0.46) CYP1A2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773284-B1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THEIR USE IN PERFUMERY MANE FILS V (FR) 2010-09-15 — — EP disclosed
EP-1773284-A1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THE USE THEREOF V. Mane Fils (FR) 2007-04-18 — — EP disclosed
WO-2006021663-A1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THE USE THEREOF V. MANE FILS (FR) 2006-03-02 — — WO disclosed
US-3963757-A Process for the preparation of lactones PHILLIPS PETROLEUM COMPANY (US) 1976-06-15 — — US disclosed