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SCHEMBL8976796

SCHEMBL8976796

CC(C)(C)c1cc(C(C)(C)C)c(OP2N(C(C)(C)C)P(Oc3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)N2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 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
SCHEMBL8977017 0.85 SMN1; SMN2 (0.41) —
SCHEMBL8976816 0.77 CA1 (0.36) —
SCHEMBL8976846 0.75 CYP1A2 (0.35) —
SCHEMBL10789196 0.73 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL10906973 0.73 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL2947022 0.69 PTGS2 (0.47) GABRA1GABRB2
SCHEMBL10570809 0.68 CYP3A4 (0.32) —
SCHEMBL10601723 0.67 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL10601737 0.67 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL15907991 0.67 GABRA1 (0.37) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534646-A OXIDATION RESISTANCE FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1996-07-09 — — US disclosed