SCHEMBL6579678

SCHEMBL6579678

CC(Nc1c(C(C)C)cccc1C(C)C)OC(C)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
LMNA P02545 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 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
SCHEMBL10037121 0.79 GABRA1 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL6580280 0.76 ALDH1A1 (0.38) LMNACA1CA2CYP1A2CYP3A4
SCHEMBL17636908 0.76 GABRA1 (0.50) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL19505932 0.76 GABRA1 (0.50) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL15494164 0.74 SMN1; SMN2 (0.46) GABRA1LMNAGABRG2GABRB3GABRB2
Hydrochloric Acid SCHEMBL29113135 0.74 GABRA1 (0.43) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL812723 0.74 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL24592602 0.72 GABRA1 (0.46) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL22429269 0.72 SOAT1 (0.46) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL24307685 0.72 KMT2A (0.49) GABRA1LMNAGABRG2GABRB3GABRB2

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-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN disclosed